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diff --git a/seventh_mut/n10/runs/posttrain/pathb_candidates.csv b/seventh_mut/n10/runs/posttrain/pathb_candidates.csv
new file mode 100644
index 0000000000000000000000000000000000000000..f3eb89d5d72481c5c23188a95d7738fd9e47d276
--- /dev/null
+++ b/seventh_mut/n10/runs/posttrain/pathb_candidates.csv
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+4,7qf3,69:Q>K,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRQREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR,conservative,17.9,0.895,1,2.0,306.423
+4,7qf3,36:L>P,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEIPGRNGRFLQGPETDQATVQKIQSAIRRQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR,conservative,17.852,0.893,1,2.0,306.423
+5,7qf3,116:R>V,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,aggressive,17.613,0.881,1,3.38,319.891
+5,7qf3,59:A>P,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSPIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR,conservative,17.661,0.883,1,3.38,319.891
+5,7qf3,69:Q>K,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR,conservative,17.852,0.893,1,3.38,319.891
+5,7qf3,36:L>P,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEIPGRNGRFLQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR,conservative,17.804,0.89,1,3.38,319.891
+5,7qf3,43:L>I,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR,conservative,17.9,0.895,1,3.38,319.891
+5,7qf3,69:Q>K,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR,conservative,17.566,0.878,1,3.38,319.891
+5,7qf3,69:Q>K,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR,conservative,18.091,0.905,1,3.38,319.891
+5,7qf3,52:T>W,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQAWVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR,conservative,17.518,0.876,1,3.38,319.891
+6,7qf3,69:Q>K,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.995,0.9,1,7.166,324.996
+6,7qf3,43:L>I,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.995,0.9,1,7.166,324.996
+6,7qf3,69:Q>K,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.9,0.895,1,7.166,324.996
+6,7qf3,36:L>P,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEIPGRNGRFLQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.518,0.876,1,7.166,324.996
+6,7qf3,43:L>I,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.947,0.897,1,7.166,324.996
+6,7qf3,3:K>P,MEPSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.9,0.895,1,7.166,324.996
+6,7qf3,3:K>P,MEPSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.852,0.893,1,7.166,324.996
+6,7qf3,68:V>K,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITKQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.613,0.881,1,7.166,324.996
+7,7qf3,68:V>K,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.566,0.878,1,10.0,317.516
+7,7qf3,43:L>I,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.995,0.9,1,10.0,317.516
+7,7qf3,43:L>I,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.947,0.897,1,10.0,317.516
+7,7qf3,68:V>K,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.804,0.89,1,10.0,317.516
+7,7qf3,14:D>N,MEKSFVITDPRLPNDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.661,0.883,1,10.0,317.516
+7,7qf3,71:I>K,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVKLKNYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,aggressive,17.757,0.888,1,10.0,317.516
+8,7qf3,43:L>I,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.995,0.9,1,8.321,310.569
+8,7qf3,43:L>I,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,18.043,0.902,1,8.321,310.569
+8,7qf3,71:I>K,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITKKLKNYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.709,0.885,1,8.321,310.569
+8,7qf3,9:D>K;10:P>K;71:I>K,MEKSFVITKKRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITKKLKNYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,aggressive,17.661,0.883,1,8.321,310.569
+8,7qf3,8:T>K,MEKSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.804,0.89,1,8.321,310.569
+8,7qf3,57:Q>K,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIKSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.757,0.888,1,8.321,310.569
+9,7qf3,8:T>K,MEKSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.661,0.883,1,10.0,307.201
+9,7qf3,57:Q>K,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIKSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.566,0.878,1,10.0,307.201
+9,7qf3,38:R>I,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.709,0.885,1,10.0,307.201
+9,7qf3,3:K>P,MEPSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.947,0.897,1,10.0,307.201
+9,7qf3,70:L>K;71:I>K,MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKKKNYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,aggressive,17.47,0.874,1,10.0,307.201
+10,7qf3,3:K>P,MEPSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.757,0.888,1,10.0,312.343
+10,7qf3,38:R>I,MEKSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.9,0.895,1,10.0,312.343
+10,7qf3,57:Q>K,MEKSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIKSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.613,0.881,1,10.0,312.343
+10,7qf3,57:Q>K,MEKSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIKSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.757,0.888,1,10.0,312.343
+10,7qf3,3:K>P,MEPSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.9,0.895,1,10.0,312.343
+10,7qf3,9:D>K,MEKSFVIKKPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,18.138,0.907,1,10.0,312.343
+10,7qf3,58:S>K,MEKSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQKAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.709,0.885,1,10.0,312.343
+11,7qf3,9:D>K,MEPSFVIKKPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.327,0.866,1,9.531,309.222
+11,7qf3,38:R>I,MEPSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.136,0.857,1,9.531,309.222
+11,7qf3,10:P>K,MEPSFVIKDKRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.566,0.878,1,9.531,309.222
+11,7qf3,2:E>P;4:S>P,MPPPFVIKDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,aggressive,17.47,0.874,1,9.531,309.222
+12,7qf3,38:R>I,MEPSFVIKKPRLPDDPIIFASSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.709,0.885,1,9.619,309.766
+12,7qf3,10:P>K,MEPSFVIKKKRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.757,0.888,1,9.619,309.766
+12,7qf3,20:A>I,MEPSFVIKKPRLPDDPIIFISSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.613,0.881,1,9.619,309.766
+13,7qf3,10:P>K,MEPSFVIKKKRLPDDPIIFASSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.375,0.869,1,6.353,313.982
+13,7qf3,20:A>I,MEPSFVIKKPRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.757,0.888,1,6.353,313.982
+13,7qf3,10:P>K,MEPSFVIKKKRLPDDPIIFASSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.47,0.874,1,6.353,313.982
+13,7qf3,20:A>I,MEPSFVIKKPRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.709,0.885,1,6.353,313.982
+14,7qf3,20:A>I,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,16.945,0.847,1,5.309,309.986
+14,7qf3,20:A>I,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.47,0.874,1,5.309,309.986
+14,7qf3,20:A>I,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.9,0.895,1,5.309,309.986
+14,7qf3,67:T>K,MEPSFVIKKKRLPDDPIIFASSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREIKKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,aggressive,17.136,0.857,1,5.309,309.986
+14,7qf3,20:A>I,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.613,0.881,1,5.309,309.986
+16,7qf3,82:N>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWCLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.375,0.869,1,8.0,321.038
+16,7qf3,39:N>I,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.422,0.871,1,8.0,321.038
+17,7qf3,39:N>I,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWCLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.184,0.859,1,4.624,305.403
+17,7qf3,102:V>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV,conservative,17.613,0.881,1,4.624,305.403
+17,7qf3,58:S>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQCAIRRRREITKKLINYTKSGKKFWCLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,aggressive,17.232,0.862,1,4.624,305.403
+18,7qf3,102:V>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV,conservative,17.327,0.866,1,2.689,282.342
+18,7qf3,21:S>I;58:S>C,MEPSFVIKKKRLPDDPIIFIISGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQCAIRRRREITKKLINYTKSGKKFWCLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,aggressive,17.47,0.874,1,2.689,282.342
+18,7qf3,74:T>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQSAIRRRREITKKLINYCKSGKKFWCLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.279,0.864,1,2.689,282.342
+18,7qf3,58:S>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQCAIRRRREITKKLINYTKSGKKFWCLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV,conservative,17.375,0.869,1,2.689,282.342
+19,7qf3,57:Q>C;58:S>C;59:A>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTKSGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV,aggressive,17.088,0.854,1,10.0,292.048
+19,7qf3,90:R>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWCLLHLQPMCDQKGELQYFIGCQLDGEFIPNPLLGV,conservative,17.184,0.859,1,10.0,292.048
+19,7qf3,75:K>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTCSGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV,conservative,17.757,0.888,1,10.0,292.048
+20,7qf3,75:K>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTCSGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV,conservative,17.041,0.852,1,6.57,313.619
+20,7qf3,90:R>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTKSGKKFWCLLHLQPMCDQKGELQYFIGCQLDGEFIPNPLLGV,conservative,17.661,0.883,1,6.57,313.619
+20,7qf3,75:K>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTCSGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV,conservative,17.088,0.854,1,6.57,313.619
+20,7qf3,89:M>C;90:R>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTKSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNPLLGV,aggressive,16.85,0.842,1,6.57,313.619
+20,7qf3,89:M>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTKSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV,conservative,17.375,0.869,1,6.57,313.619
+21,7qf3,89:M>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV,conservative,17.184,0.859,1,10.0,325.238
+21,7qf3,89:M>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV,conservative,16.993,0.85,1,10.0,325.238
+21,7qf3,4:S>K,MEPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTCSGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV,aggressive,17.47,0.874,1,10.0,325.238
+21,7qf3,74:T>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV,conservative,17.661,0.883,1,10.0,325.238
+22,7qf3,74:T>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV,conservative,17.375,0.869,1,6.0,266.418
+22,7qf3,4:S>K,MEPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV,conservative,17.327,0.866,1,6.0,266.418
+22,7qf3,116:V>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGC,conservative,16.945,0.847,1,6.0,266.418
+23,7qf3,4:S>K,MEPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV,aggressive,16.993,0.85,1,9.714,306.584
+23,7qf3,116:V>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGC,conservative,17.47,0.874,1,9.714,306.584
+23,7qf3,4:S>K,MEPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV,conservative,17.232,0.862,1,9.714,306.584
+24,7qf3,116:V>C,MEPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGC,conservative,17.088,0.854,1,10.0,306.091
+24,7qf3,3:P>K,MEKKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV,aggressive,16.993,0.85,1,10.0,306.091
+24,7qf3,3:P>C,MECKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV,conservative,17.088,0.854,1,10.0,306.091
+25,7qf3,2:E>C;90:R>C,MCPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNPLLGC,aggressive,17.279,0.864,1,9.103,298.924
+25,7qf3,112:P>C;113:L>C,MEPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNCCLGC,aggressive,17.518,0.876,1,9.103,298.924
+25,7qf3,113:L>C,MEPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPCLGC,aggressive,17.088,0.854,1,9.103,298.924
+26,7qf3,113:L>C,MCPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNPCLGC,conservative,17.136,0.857,1,3.593,289.195
+26,7qf3,3:P>C;4:K>C,MCCCFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNPLLGC,aggressive,17.041,0.852,1,3.593,289.195
+26,7qf3,113:L>C,MCPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNPCLGC,aggressive,17.184,0.859,1,3.593,289.195
+26,7qf3,3:P>C,MCCKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNPLLGC,conservative,17.184,0.859,1,3.593,289.195
+27,7qf3,112:P>C,MCPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCLGC,aggressive,16.897,0.845,1,4.0,278.36
+27,7qf3,4:K>C,MCPCFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNPCLGC,aggressive,17.566,0.878,1,4.0,278.36
+27,7qf3,112:P>C,MCPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCLGC,aggressive,16.85,0.842,1,4.0,278.36
+27,7qf3,3:P>C,MCCKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNPCLGC,aggressive,17.47,0.874,1,4.0,278.36
+28,7qf3,3:P>C,MCCKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCLGC,aggressive,16.897,0.845,1,9.818,330.0
+28,7qf3,3:P>C,MCCKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCLGC,aggressive,16.659,0.833,1,9.818,330.0
+28,7qf3,3:P>C,MCCKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCLGC,conservative,17.232,0.862,1,9.818,330.0
+28,7qf3,114:L>C,MCPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,aggressive,17.232,0.862,1,9.818,330.0
+29,7qf3,4:K>C,MCCCFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCLGC,aggressive,17.613,0.881,1,2.0,316.98
+29,7qf3,4:K>C,MCCCFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCLGC,aggressive,17.327,0.866,1,2.0,316.98
+31,7qf3,114:L>C,MCCCFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,aggressive,16.945,0.847,1,2.0,264.61
+34,7qf3,36:L>P;38:I>P,MCCCFVIKKKRLPDDPIIFISSGFLELTDYSREEIPGPIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,aggressive,17.661,0.883,1,8.766,303.981
+34,7qf3,21:S>I;22:S>I,MCCCFVIKKKRLPDDPIIFIIIGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,aggressive,17.375,0.869,1,8.766,303.981
+35,7qf3,22:S>I,MCCCFVIKKKRLPDDPIIFISIGFLELTDYSREEIPGPIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,aggressive,17.088,0.854,1,8.689,311.437
+35,7qf3,21:S>I,MCCCFVIKKKRLPDDPIIFIISGFLELTDYSREEIPGPIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,aggressive,17.232,0.862,1,8.689,311.437
+36,7qf3,21:S>I,MCCCFVIKKKRLPDDPIIFIIIGFLELTDYSREEIPGPIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,aggressive,17.041,0.852,1,9.345,319.211
+37,7qf3,50:Q>S,MCCCFVIKKKRLPDDPIIFIIIGFLELTDYSREEIPGPIGRFIQGPETDSATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,aggressive,17.279,0.864,1,9.342,327.824
+37,7qf3,28:T>I,MCCCFVIKKKRLPDDPIIFIIIGFLELIDYSREEIPGPIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,aggressive,17.327,0.866,1,9.342,327.824
+38,7qf3,28:T>I,MCCCFVIKKKRLPDDPIIFIIIGFLELIDYSREEIPGPIGRFIQGPETDSATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,aggressive,17.566,0.878,1,10.0,329.65
+38,7qf3,44:Q>S,MCCCFVIKKKRLPDDPIIFIIIGFLELTDYSREEIPGPIGRFISGPETDSATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,aggressive,17.661,0.883,1,10.0,329.65
+38,7qf3,28:T>I,MCCCFVIKKKRLPDDPIIFIIIGFLELIDYSREEIPGPIGRFIQGPETDSATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,conservative,17.327,0.866,1,10.0,329.65
+39,7qf3,44:Q>S;51:A>S;52:T>S,MCCCFVIKKKRLPDDPIIFIIIGFLELIDYSREEIPGPIGRFISGPETDSSSVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,aggressive,17.661,0.883,1,8.0,285.288
+39,7qf3,27:L>I,MCCCFVIKKKRLPDDPIIFIIIGFLEIIDYSREEIPGPIGRFIQGPETDSATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,aggressive,17.136,0.857,1,8.0,285.288
+39,7qf3,52:T>S,MCCCFVIKKKRLPDDPIIFIIIGFLELIDYSREEIPGPIGRFIQGPETDSASVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,conservative,17.136,0.857,1,8.0,285.288
+39,7qf3,52:T>S,MCCCFVIKKKRLPDDPIIFIIIGFLELIDYSREEIPGPIGRFIQGPETDSASVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,aggressive,16.945,0.847,1,8.0,285.288
+0,6qqe,103:N>L,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.177,0.859,1,10.0,299.604
+0,6qqe,95:A>L;96:K>L,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCLLKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.298,0.865,1,10.0,299.604
+0,6qqe,83:L>C;84:L>C,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSACCSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,16.895,0.845,1,10.0,299.604
+0,6qqe,95:A>C,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCCKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.097,0.855,1,10.0,299.604
+0,6qqe,73:R>I,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSINLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.218,0.861,1,10.0,299.604
+1,6qqe,95:A>L;96:K>L,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCLLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.056,0.853,1,10.0,304.651
+1,6qqe,72:S>I,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGIRNLCNIPCSALLSSDITASVNCAKKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.218,0.861,1,10.0,304.651
+1,6qqe,93:N>C;95:A>C,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVCCCKKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.339,0.867,1,10.0,304.651
+1,6qqe,96:K>L;97:K>L,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCALLIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.056,0.853,1,10.0,304.651
+2,6qqe,93:N>C;95:L>C,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.339,0.867,1,10.0,301.218
+2,6qqe,73:R>I;74:N>I,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSIILCNIPCSALLSSDITASVNCLLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,16.976,0.849,1,10.0,301.218
+2,6qqe,73:R>I;74:N>I,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSIILCNIPCSALLSSDITASVNCLLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.137,0.857,1,10.0,301.218
+2,6qqe,96:L>C,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCLCKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,16.976,0.849,1,10.0,301.218
+2,6qqe,82:A>C;84:L>C,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSCLCSSDITASVNCLLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.339,0.867,1,10.0,301.218
+3,6qqe,82:A>C;83:L>C,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,16.532,0.827,1,10.0,304.483
+3,6qqe,74:N>I;75:L>I,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRIICNIPCSALLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.218,0.861,1,10.0,304.483
+3,6qqe,72:S>I;73:R>I;74:N>I,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGIIILCNIPCSALLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,16.935,0.847,1,10.0,304.483
+3,6qqe,29:V>C,KVFGRCELAAAMKRHGLDNYRGYSLGNWCCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.137,0.857,1,10.0,304.483
+3,6qqe,82:A>C;83:L>C,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.258,0.863,1,10.0,304.483
+3,6qqe,73:R>I;74:N>I,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSIILCNIPCSALLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.218,0.861,1,10.0,304.483
+4,6qqe,81:S>C,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.339,0.867,1,10.0,297.937
+4,6qqe,73:R>I;74:N>I;75:L>I,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSIIICNIPCSCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,16.855,0.843,1,10.0,297.937
+4,6qqe,73:R>I,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSINLCNIPCSCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,16.694,0.835,1,10.0,297.937
+4,6qqe,72:S>W;73:R>W;124:I>W,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGWWNLCNIPCSCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWWRGCRL,aggressive,16.895,0.845,1,10.0,297.937
+5,6qqe,72:S>W;124:I>P,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWPRGCRL,aggressive,17.016,0.851,1,9.756,297.05
+5,6qqe,73:R>I;74:N>I;75:L>I,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSIIICNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.177,0.859,1,9.756,297.05
+5,6qqe,72:S>I;73:R>I;74:N>I,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGIIILCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.097,0.855,1,9.756,297.05
+5,6qqe,77:N>C,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCCIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,16.855,0.843,1,9.756,297.05
+5,6qqe,121:Q>N,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWIRGCRL,aggressive,17.379,0.869,1,9.756,297.05
+5,6qqe,72:S>W;74:N>W,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGWRWLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,16.855,0.843,1,9.756,297.05
+6,6qqe,50:S>L;51:T>P;121:Q>N,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.895,0.845,1,9.989,301.862
+6,6qqe,73:R>I;74:N>I,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGWIILCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWPRGCRL,aggressive,16.976,0.849,1,9.989,301.862
+6,6qqe,73:R>I,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGWINLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWPRGCRL,aggressive,16.855,0.843,1,9.989,301.862
+6,6qqe,73:R>W,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGWWNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWPRGCRL,aggressive,16.895,0.845,1,9.989,301.862
+6,6qqe,32:A>P;119:D>P,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAPKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTPVQAWPRGCRL,aggressive,16.653,0.833,1,9.989,301.862
+6,6qqe,1:K>L;45:R>T;46:N>K,LVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNTKTDGSTDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWPRGCRL,aggressive,17.016,0.851,1,9.989,301.862
+6,6qqe,2:V>C,KCFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWPRGCRL,aggressive,17.056,0.853,1,9.989,301.862
+7,6qqe,1:K>C;15:H>C,CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.613,0.831,1,10.0,312.951
+7,6qqe,1:K>L;45:R>K,LVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNKNTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,17.056,0.853,1,10.0,312.951
+8,6qqe,45:R>K;46:N>K,CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.653,0.833,1,10.0,315.003
+8,6qqe,73:R>I;74:N>I;75:L>I,CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.976,0.849,1,10.0,315.003
+8,6qqe,10:A>L;11:A>L;12:M>L,CVFGRCELALLLKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.452,0.823,1,10.0,315.003
+8,6qqe,2:V>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.895,0.845,1,10.0,315.003
+9,6qqe,73:R>I;74:N>I;75:L>I,CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.935,0.847,1,8.828,313.515
+9,6qqe,2:V>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,17.177,0.859,1,8.828,313.515
+9,6qqe,10:A>L;12:M>L,CVFGRCELALALKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.371,0.819,1,8.828,313.515
+9,6qqe,36:S>N;124:P>N,CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFENNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWNRGCRL,aggressive,16.774,0.839,1,8.828,313.515
+9,6qqe,78:I>F;79:P>F;129:L>F,CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWRNLCNFFCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRF,aggressive,16.734,0.837,1,8.828,313.515
+10,6qqe,2:V>C;96:L>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.815,0.841,1,6.0,325.228
+10,6qqe,129:L>F,CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRF,aggressive,16.613,0.831,1,6.0,325.228
+10,6qqe,39:N>H;57:Q>H,CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGILHINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.895,0.845,1,6.0,325.228
+10,6qqe,96:L>C,CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.653,0.833,1,6.0,325.228
+11,6qqe,57:Q>H,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILHINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.734,0.837,1,5.503,273.283
+11,6qqe,99:V>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKICSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.371,0.819,1,5.503,273.283
+11,6qqe,99:V>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKICSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.653,0.833,1,5.503,273.283
+11,6qqe,103:L>C;106:N>C;107:A>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGCGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.29,0.815,1,5.503,273.283
+12,6qqe,106:N>C;107:A>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILHINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.21,0.81,1,10.0,318.16
+13,6qqe,39:N>H;58:I>H,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGILHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.774,0.839,1,8.0,330.0
+13,6qqe,98:I>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILHINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKCVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.452,0.823,1,8.0,330.0
+13,6qqe,56:L>H,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGIHHINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.815,0.841,1,8.0,330.0
+14,6qqe,56:L>H,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.734,0.837,1,8.0,304.255
+14,6qqe,98:I>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGILHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKCVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,17.016,0.851,1,8.0,304.255
+14,6qqe,40:T>H,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHHQATNKKTDGLPDYGILHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.532,0.827,1,8.0,304.255
+14,6qqe,97:K>C;98:I>C;103:L>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGILHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCVSDGCGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.815,0.841,1,8.0,304.255
+15,6qqe,100:S>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVCDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.25,0.812,1,10.0,306.997
+15,6qqe,40:T>H,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHHQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.774,0.839,1,10.0,306.997
+15,6qqe,97:K>C;98:I>C;99:V>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.613,0.831,1,10.0,306.997
+15,6qqe,99:V>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKICSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.089,0.804,1,10.0,306.997
+16,6qqe,97:K>C;98:I>C;99:V>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.532,0.827,1,8.0,315.364
+16,6qqe,99:V>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKICCDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.734,0.837,1,8.0,315.364
+16,6qqe,99:V>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKICCDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.613,0.831,1,8.0,315.364
+16,6qqe,98:I>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKCVCDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.411,0.821,1,8.0,315.364
+16,6qqe,48:D>L,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTLGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVCDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.331,0.817,1,8.0,315.364
+17,6qqe,13:K>C,CCFGRCELAAAMCRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,16.411,0.821,1,10.0,306.247
+18,6qqe,124:P>N;125:R>N,CCFGRCELAAAMCRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCDGLGMCCWVAWRNRCKGTDVNAWNNGCRL,aggressive,16.371,0.819,1,2.0,270.702
+18,6qqe,14:R>H;129:L>N,CCFGRCELAAAMCHCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCDGLGMCCWVAWRNRCKGTDVNAWPRGCRN,aggressive,16.29,0.815,1,2.0,270.702
+19,6qqe,101:D>C,CCFGRCELAAAMCRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCCGLGMCCWVAWRNRCKGTDVNAWNNGCRL,aggressive,16.573,0.829,1,4.706,330.0
+19,6qqe,101:D>C,CCFGRCELAAAMCRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCCGLGMCCWVAWRNRCKGTDVNAWNNGCRL,aggressive,16.371,0.819,1,4.706,330.0
+20,6qqe,129:L>N,CCFGRCELAAAMCRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCCGLGMCCWVAWRNRCKGTDVNAWNNGCRN,aggressive,15.806,0.79,1,4.0,330.0
+21,6qqe,128:R>N,CCFGRCELAAAMCRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCCGLGMCCWVAWRNRCKGTDVNAWNNGCNN,aggressive,16.169,0.808,1,6.359,330.0
+23,6qqe,14:R>N,CCFGRCELAAAMCNCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCCGLGMCCWVAWRNRCKGTDVNAWNNGCNN,aggressive,16.048,0.802,1,2.0,315.413
+0,8d8f,93:N>E,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVECAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,17.016,0.851,1,8.982,320.138
+0,8d8f,87:D>E,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.169,0.808,1,8.982,320.138
+0,8d8f,92:V>E,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASENCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,17.056,0.853,1,8.982,320.138
+0,8d8f,93:N>E,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVECAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.935,0.847,1,8.982,320.138
+0,8d8f,86:S>E,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSEDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,17.097,0.855,1,8.982,320.138
+0,8d8f,85:S>E;86:S>E;87:D>E,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLEEEITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,16.774,0.839,1,8.982,320.138
+0,8d8f,93:N>E,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVECAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.935,0.847,1,8.982,320.138
+1,8d8f,103:N>C,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,15.927,0.796,1,2.032,306.06
+1,8d8f,89:T>N,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASVECAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.532,0.827,1,2.032,306.06
+1,8d8f,92:V>E,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASEECAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.492,0.825,1,2.032,306.06
+2,8d8f,89:T>N,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.573,0.829,1,4.317,304.608
+2,8d8f,92:V>E,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.774,0.839,1,4.317,304.608
+2,8d8f,7:E>D,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.855,0.843,1,4.317,304.608
+2,8d8f,88:I>N,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDNTASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.935,0.847,1,4.317,304.608
+2,8d8f,92:V>E,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.653,0.833,1,4.317,304.608
+3,8d8f,7:E>D,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.532,0.827,1,5.299,309.438
+3,8d8f,92:V>E,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.774,0.839,1,5.299,309.438
+3,8d8f,92:V>E,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.573,0.829,1,5.299,309.438
+3,8d8f,5:R>W,KVFGWCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.573,0.829,1,5.299,309.438
+3,8d8f,87:D>E,KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEINASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.734,0.837,1,5.299,309.438
+4,8d8f,92:V>E,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.532,0.827,1,2.0,306.225
+4,8d8f,87:D>E,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEINASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.815,0.841,1,2.0,306.225
+4,8d8f,5:R>W,KVFGWCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.452,0.823,1,2.0,306.225
+4,8d8f,92:V>E,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.653,0.833,1,2.0,306.225
+4,8d8f,87:D>E;88:I>E,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEENASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,16.734,0.837,1,2.0,306.225
+4,8d8f,91:S>E,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINAEVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.25,0.812,1,2.0,306.225
+5,8d8f,87:D>E,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEINASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.694,0.835,1,9.752,303.943
+5,8d8f,89:N>E,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDIEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.815,0.841,1,9.752,303.943
+5,8d8f,5:R>E,KVFGECDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.492,0.825,1,9.752,303.943
+5,8d8f,87:D>E,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEINASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.532,0.827,1,9.752,303.943
+5,8d8f,88:I>E,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDENASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,17.016,0.851,1,9.752,303.943
+6,8d8f,89:N>E,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEIEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.25,0.812,1,9.845,303.296
+6,8d8f,29:V>E,KVFGRCDLAAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEINASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.532,0.827,1,9.845,303.296
+6,8d8f,88:I>N,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.895,0.845,1,9.845,303.296
+7,8d8f,88:I>N,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.573,0.829,1,5.654,310.597
+7,8d8f,29:V>E,KVFGRCDLAAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEIEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.694,0.835,1,5.654,310.597
+7,8d8f,14:R>D,KVFGRCDLAAAMKDHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEIEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.774,0.839,1,5.654,310.597
+7,8d8f,21:R>D,KVFGRCDLAAAMKRHGLDNYDGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEIEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.613,0.831,1,5.654,310.597
+8,8d8f,89:E>N,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.331,0.817,1,8.768,313.877
+8,8d8f,29:V>E,KVFGRCDLAAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.653,0.833,1,8.768,313.877
+8,8d8f,9:A>N,KVFGRCDLNAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.613,0.831,1,8.768,313.877
+8,8d8f,46:N>C,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRCTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.613,0.831,1,8.768,313.877
+8,8d8f,89:E>N,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.653,0.833,1,8.768,313.877
+8,8d8f,45:R>S,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,17.137,0.857,1,8.768,313.877
+9,8d8f,45:R>S,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.855,0.843,1,8.467,315.668
+9,8d8f,29:V>E,KVFGRCDLAAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.653,0.833,1,8.467,315.668
+9,8d8f,9:A>N,KVFGRCDLNAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.613,0.831,1,8.467,315.668
+9,8d8f,8:L>N,KVFGRCDNAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.653,0.833,1,8.467,315.668
+9,8d8f,106:N>C,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMCAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.653,0.833,1,8.467,315.668
+9,8d8f,43:T>E,KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQAENRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.371,0.819,1,8.467,315.668
+9,8d8f,2:V>D,KDFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.734,0.837,1,8.467,315.668
+10,8d8f,2:V>D,KDFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.774,0.839,1,10.0,309.924
+10,8d8f,8:L>N,KVFGRCDNAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.815,0.841,1,10.0,309.924
+10,8d8f,29:V>N,KVFGRCDLAAAMKRHGLDNYRGYSLGNWNCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.935,0.847,1,10.0,309.924
+10,8d8f,29:V>E,KVFGRCDLAAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.694,0.835,1,10.0,309.924
+10,8d8f,9:A>N,KVFGRCDLNAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.734,0.837,1,10.0,309.924
+10,8d8f,21:R>D,KVFGRCDLAAAMKRHGLDNYDGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.492,0.825,1,10.0,309.924
+11,8d8f,29:V>E,KDFGRCDLAAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.21,0.81,1,8.574,296.916
+11,8d8f,8:L>N,KDFGRCDNAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.895,0.845,1,8.574,296.916
+11,8d8f,9:A>N,KDFGRCDLNAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.653,0.833,1,8.574,296.916
+11,8d8f,29:V>E,KDFGRCDLAAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.855,0.843,1,8.574,296.916
+11,8d8f,57:Q>E,KDFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILEINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.573,0.829,1,8.574,296.916
+11,8d8f,29:V>E,KDFGRCDLAAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.774,0.839,1,8.574,296.916
+12,8d8f,7:D>N;9:A>N,KDFGRCNLNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,16.613,0.831,1,6.816,316.472
+12,8d8f,9:A>N,KDFGRCDLNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.573,0.829,1,6.816,316.472
+12,8d8f,21:R>D,KDFGRCDLAAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.532,0.827,1,6.816,316.472
+12,8d8f,21:R>D,KDFGRCDLAAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.573,0.829,1,6.816,316.472
+13,8d8f,8:L>N,KDFGRCNNNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.573,0.829,1,7.229,330.0
+13,8d8f,21:R>D,KDFGRCNLNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.25,0.812,1,7.229,330.0
+13,8d8f,21:R>D,KDFGRCNLNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.169,0.808,1,7.229,330.0
+13,8d8f,21:R>D,KDFGRCNLNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.129,0.806,1,7.229,330.0
+13,8d8f,21:R>D,KDFGRCNLNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.492,0.825,1,7.229,330.0
+14,8d8f,29:E>H,KDFGRCNNNAAMKRHGLDNYRGYSLGNWHCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.331,0.817,1,10.0,318.342
+14,8d8f,21:R>D,KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.21,0.81,1,10.0,318.342
+14,8d8f,96:K>N,KDFGRCNNNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECANKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.25,0.812,1,10.0,318.342
+15,8d8f,29:H>E,KDFGRCNNNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.411,0.821,1,10.0,328.419
+15,8d8f,96:K>N,KDFGRCNNNAAMKRHGLDNYRGYSLGNWHCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECANKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.048,0.802,1,10.0,328.419
+15,8d8f,21:R>D,KDFGRCNNNAAMKRHGLDNYDGYSLGNWHCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.411,0.821,1,10.0,328.419
+15,8d8f,21:R>D,KDFGRCNNNAAMKRHGLDNYDGYSLGNWHCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.411,0.821,1,10.0,328.419
+15,8d8f,29:H>E,KDFGRCNNNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,15.887,0.794,1,10.0,328.419
+15,8d8f,96:K>N,KDFGRCNNNAAMKRHGLDNYRGYSLGNWHCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECANKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.29,0.815,1,10.0,328.419
+16,8d8f,21:R>D,KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.331,0.817,1,5.093,301.23
+16,8d8f,21:R>D,KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.452,0.823,1,5.093,301.23
+16,8d8f,96:K>N,KDFGRCNNNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECANKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.331,0.817,1,5.093,301.23
+16,8d8f,5:R>F,KDFGFCNNNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.129,0.806,1,5.093,301.23
+16,8d8f,5:R>F,KDFGFCNNNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.411,0.821,1,5.093,301.23
+16,8d8f,21:R>D,KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.21,0.81,1,5.093,301.23
+17,8d8f,21:D>N,KDFGRCNNNAAMKRHGLDNYNGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.169,0.808,1,10.0,289.849
+17,8d8f,96:K>N,KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECANKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,15.968,0.798,1,10.0,289.849
+17,8d8f,57:Q>D,KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.371,0.819,1,10.0,289.849
+17,8d8f,56:L>D,KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGIDQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,15.726,0.786,1,10.0,289.849
+17,8d8f,96:K>N,KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECANKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.169,0.808,1,10.0,289.849
+17,8d8f,56:L>D,KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGIDQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.048,0.802,1,10.0,289.849
+18,8d8f,57:Q>D,KDFGRCNNNAAMKRHGLDNYNGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.371,0.819,1,10.0,330.0
+18,8d8f,21:N>D,KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.613,0.831,1,10.0,330.0
+18,8d8f,96:K>N,KDFGRCNNNAAMKRHGLDNYNGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECANKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.25,0.812,1,10.0,330.0
+18,8d8f,56:L>D,KDFGRCNNNAAMKRHGLDNYNGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGIDQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.21,0.81,1,10.0,330.0
+18,8d8f,25:L>W,KDFGRCNNNAAMKRHGLDNYNGYSWGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.411,0.821,1,10.0,330.0
+18,8d8f,56:L>E,KDFGRCNNNAAMKRHGLDNYNGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGIEQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,15.726,0.786,1,10.0,330.0
+18,8d8f,21:N>D,KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.048,0.802,1,10.0,330.0
+18,8d8f,37:N>E,KDFGRCNNNAAMKRHGLDNYNGYSLGNWECAAKFESEFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.694,0.835,1,10.0,330.0
+19,8d8f,37:N>E,KDFGRCNNNAAMKRHGLDNYNGYSLGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.169,0.808,1,10.0,268.806
+19,8d8f,25:L>W,KDFGRCNNNAAMKRHGLDNYNGYSWGNWECAAKFESNFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.411,0.821,1,10.0,268.806
+19,8d8f,21:N>D,KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,15.766,0.788,1,10.0,268.806
+19,8d8f,37:N>W,KDFGRCNNNAAMKRHGLDNYNGYSLGNWECAAKFESWFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.129,0.806,1,10.0,268.806
+19,8d8f,5:R>F,KDFGFCNNNAAMKRHGLDNYNGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.21,0.81,1,10.0,268.806
+19,8d8f,21:N>D,KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.25,0.812,1,10.0,268.806
+20,8d8f,25:L>W,KDFGRCNNNAAMKRHGLDNYNGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.21,0.81,1,10.0,287.495
+20,8d8f,21:N>D,KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.048,0.802,1,10.0,287.495
+20,8d8f,5:R>F,KDFGFCNNNAAMKRHGLDNYNGYSLGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.25,0.812,1,10.0,287.495
+21,8d8f,5:R>F,KDFGFCNNNAAMKRHGLDNYNGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.129,0.806,1,7.816,330.0
+21,8d8f,21:N>D,KDFGRCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.129,0.806,1,7.816,330.0
+21,8d8f,77:N>D,KDFGRCNNNAAMKRHGLDNYNGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCDIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,16.089,0.804,1,7.816,330.0
+21,8d8f,21:N>D,KDFGRCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,15.887,0.794,1,7.816,330.0
+22,8d8f,21:N>D,KDFGFCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,15.444,0.772,1,8.881,299.695
+22,8d8f,77:N>D,KDFGFCNNNAAMKRHGLDNYNGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCDIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,15.484,0.774,1,8.881,299.695
+22,8d8f,21:N>D,KDFGFCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,15.645,0.782,1,8.881,299.695
+22,8d8f,21:N>D,KDFGFCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,15.847,0.792,1,8.881,299.695
+22,8d8f,77:N>D,KDFGFCNNNAAMKRHGLDNYNGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCDIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,15.645,0.782,1,8.881,299.695
+23,8d8f,77:N>D,KDFGFCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCDIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,15.927,0.796,1,4.298,309.069
+24,8d8f,56:L>D,KDFGFCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGIDDINSRWWCNDGRTPGSRNLCDIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,15.524,0.776,1,3.729,279.021
+0,1jvt,20:A>V,KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV,conservative,17.253,0.863,1,10.0,273.174
+0,1jvt,113:N>L,KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV,conservative,17.425,0.871,1,10.0,273.174
+0,1jvt,86:E>L,KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRLTGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV,conservative,17.21,0.861,1,10.0,273.174
+0,1jvt,82:T>W;83:D>W,KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSIWWCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV,aggressive,17.253,0.863,1,10.0,273.174
+0,1jvt,113:N>H,KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGHPYVPVHFDASV,conservative,16.867,0.843,1,10.0,273.174
+0,1jvt,30:M>W,KETAAAKFERQHMDSSTSAASSSNYCNQMWKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV,conservative,17.296,0.865,1,10.0,273.174
+0,1jvt,103:N>I,KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQAIKHIIVACEGNPYVPVHFDASV,conservative,17.296,0.865,1,10.0,273.174
+1,1jvt,113:N>L,KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV,conservative,17.21,0.861,1,7.394,273.81
+1,1jvt,103:N>I,KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQAIKHIIVACEGNPYVPVHFDASV,conservative,17.253,0.863,1,7.394,273.81
+1,1jvt,21:S>V,KETAAAKFERQHMDSSTSAVVSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV,conservative,17.597,0.88,1,7.394,273.81
+1,1jvt,122:A>L,KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDLSV,aggressive,17.511,0.876,1,7.394,273.81
+1,1jvt,103:N>I,KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQAIKHIIVACEGNPYVPVHFDASV,conservative,17.167,0.858,1,7.394,273.81
+1,1jvt,11:Q>L,KETAAAKFERLHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV,conservative,17.682,0.884,1,7.394,273.81
+2,1jvt,11:Q>L,KETAAAKFERLHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV,conservative,16.91,0.845,1,6.028,271.268
+2,1jvt,86:E>L,KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRLTGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV,conservative,16.867,0.843,1,6.028,271.268
+2,1jvt,122:A>L,KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDLSV,aggressive,17.339,0.867,1,6.028,271.268
+2,1jvt,103:N>I,KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQAIKHIIVACEGLPYVPVHFDASV,conservative,17.382,0.869,1,6.028,271.268
+2,1jvt,23:S>I,KETAAAKFERQHMDSSTSAVSSINYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV,conservative,17.511,0.876,1,6.028,271.268
+2,1jvt,38:D>K,KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV,aggressive,17.253,0.863,1,6.028,271.268
+2,1jvt,39:R>K,KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV,aggressive,16.996,0.85,1,6.028,271.268
+3,1jvt,23:S>I,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV,conservative,17.082,0.854,1,8.707,273.986
+3,1jvt,103:N>I,KETAAAKFERLHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQAIKHIIVACEGLPYVPVHFDASV,conservative,17.21,0.861,1,8.707,273.986
+3,1jvt,38:D>K;39:R>K,KETAAAKFERLHMDSSTSAVSSSNYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV,aggressive,17.425,0.871,1,8.707,273.986
+3,1jvt,103:N>I,KETAAAKFERLHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQAIKHIIVACEGLPYVPVHFDASV,conservative,17.082,0.854,1,8.707,273.986
+3,1jvt,28:Q>K,KETAAAKFERLHMDSSTSAVSSSNYCNKMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV,conservative,16.824,0.841,1,8.707,273.986
+3,1jvt,114:P>L;122:A>L,KETAAAKFERLHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFDLSV,aggressive,17.339,0.867,1,8.707,273.986
+3,1jvt,37:K>L;38:D>K;122:A>L,KETAAAKFERLHMDSSTSAVSSSNYCNQMMKSRNLTLKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDLSV,aggressive,17.339,0.867,1,8.707,273.986
+4,1jvt,38:D>K,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV,conservative,16.996,0.85,1,7.215,272.632
+4,1jvt,38:D>K,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV,aggressive,16.824,0.841,1,7.215,272.632
+4,1jvt,114:P>L;123:S>L,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFDALV,aggressive,17.082,0.854,1,7.215,272.632
+4,1jvt,103:N>I,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQAIKHIIVACEGLPYVPVHFDASV,conservative,16.781,0.839,1,7.215,272.632
+4,1jvt,122:A>L,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDLSV,aggressive,17.039,0.852,1,7.215,272.632
+4,1jvt,38:D>K;39:R>K,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV,aggressive,17.21,0.861,1,7.215,272.632
+4,1jvt,38:D>K,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV,conservative,16.781,0.839,1,7.215,272.632
+5,1jvt,114:P>L;122:A>L;123:S>L,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFDLLV,aggressive,17.167,0.858,1,10.0,272.972
+5,1jvt,121:D>L,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFLASV,aggressive,16.738,0.837,1,10.0,272.972
+5,1jvt,122:A>L;123:S>L,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDLLV,aggressive,16.996,0.85,1,10.0,272.972
+6,1jvt,121:D>L,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLV,aggressive,17.039,0.852,1,9.064,275.95
+6,1jvt,124:V>L,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFDLLL,aggressive,17.554,0.878,1,9.064,275.95
+8,1jvt,124:V>L,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLL,aggressive,17.167,0.858,1,10.0,261.722
+8,1jvt,124:V>L,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLL,aggressive,16.738,0.837,1,10.0,261.722
+8,1jvt,16:S>E;17:T>E;85:R>E,KETAAAKFERLHMDSEESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLV,aggressive,17.082,0.854,1,10.0,261.722
+9,1jvt,17:T>E,KETAAAKFERLHMDSSESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLL,aggressive,17.21,0.861,1,8.0,271.789
+10,1jvt,16:S>E,KETAAAKFERLHMDSEESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLL,aggressive,16.652,0.833,1,2.0,273.102
+10,1jvt,89:S>L,KETAAAKFERLHMDSSESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGLSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLL,aggressive,16.609,0.83,1,2.0,273.102
+10,1jvt,87:T>L,KETAAAKFERLHMDSSESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRELGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLL,aggressive,16.781,0.839,1,2.0,273.102
+11,1jvt,85:R>E,KETAAAKFERLHMDSEESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLL,aggressive,17.296,0.865,1,10.0,273.526
+12,1jvt,103:N>I,KETAAAKFERLHMDSEESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGSSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,16.867,0.843,1,10.0,275.762
+13,1jvt,89:S>L,KETAAAKFERLHMDSEESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,16.652,0.833,1,2.644,273.56
+13,1jvt,85:E>L,KETAAAKFERLHMDSEESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCLETGSSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,17.039,0.852,1,2.644,273.56
+14,1jvt,39:R>K,KETAAAKFERLHMDSEESAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,16.695,0.835,1,7.511,269.397
+15,1jvt,18:S>E,KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,16.996,0.85,1,7.497,270.135
+16,1jvt,38:K>E,KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKEKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,17.511,0.876,1,9.093,268.832
+16,1jvt,90:S>L,KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLLKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,17.039,0.852,1,9.093,268.832
+17,1jvt,38:E>K,KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,17.296,0.865,1,7.212,277.443
+17,1jvt,90:S>L,KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKEKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLLKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,16.91,0.845,1,7.212,277.443
+17,1jvt,38:E>K,KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,16.867,0.843,1,7.212,277.443
+17,1jvt,38:E>K,KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,16.996,0.85,1,7.212,277.443
+17,1jvt,38:E>K,KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,16.996,0.85,1,7.212,277.443
+18,1jvt,90:S>L,KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLLKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,16.609,0.83,1,9.071,266.075
+19,1jvt,87:T>L,KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEELGLLKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,16.953,0.848,1,10.0,261.978
+21,1jvt,86:E>L,KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCELLGLLKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,16.524,0.826,1,8.0,260.0
+22,1jvt,85:E>L,KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCLLLGLLKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,17.382,0.869,1,6.47,260.0
+24,1jvt,107:I>L,KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCLLLGLLKYPNCAYKTTQAIKHILVACEGLLYVPVHFLLLL,aggressive,16.652,0.833,1,6.0,262.3
+25,1jvt,108:V>L,KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCLLLGLLKYPNCAYKTTQAIKHILLACEGLLYVPVHFLLLL,aggressive,17.039,0.852,1,10.0,260.0
+30,1jvt,12:H>L,KETAAAKFERLLMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCLLLGLLKYPNCAYKTTQAIKHILLACEGLLYVPVHFLLLL,aggressive,16.738,0.837,1,10.0,262.186
+32,1jvt,85:L>E,KETAAAKFERLLMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCELLGLLKYPNCAYKTTQAIKHILLACEGLLYVPVHFLLLL,aggressive,16.009,0.8,1,8.0,262.95
+33,1jvt,106:I>L,KETAAAKFERLLMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCELLGLLKYPNCAYKTTQAIKHLLLACEGLLYVPVHFLLLL,aggressive,16.309,0.815,1,6.0,262.44
+35,1jvt,13:M>L,KETAAAKFERLLLDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCELLGLLKYPNCAYKTTQAIKHLLLACEGLLYVPVHFLLLL,aggressive,16.438,0.822,1,10.0,260.358
+36,1jvt,86:L>E,KETAAAKFERLLLDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEELGLLKYPNCAYKTTQAIKHLLLACEGLLYVPVHFLLLL,aggressive,16.137,0.807,1,10.0,278.523
+36,1jvt,96:A>L,KETAAAKFERLLLDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCELLGLLKYPNCLYKTTQAIKHLLLACEGLLYVPVHFLLLL,aggressive,16.567,0.828,1,10.0,278.523
+37,1jvt,96:A>L,KETAAAKFERLLLDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEELGLLKYPNCLYKTTQAIKHLLLACEGLLYVPVHFLLLL,aggressive,16.395,0.82,1,6.026,260.0
diff --git a/seventh_mut/n10/runs/posttrain/pathb_candidates_failures.csv b/seventh_mut/n10/runs/posttrain/pathb_candidates_failures.csv
new file mode 100644
index 0000000000000000000000000000000000000000..9f004a4679dc97493d20e38c4be47b7f10e14319
--- /dev/null
+++ b/seventh_mut/n10/runs/posttrain/pathb_candidates_failures.csv
@@ -0,0 +1,24 @@
+ep,tag,mutations,mut_seq,strategy,reason
+19,7qf3,75:K>C;76:S>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTCCGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 205/400 (T=232K, U=1.052e8)"
+23,7qf3,116:V>C,MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGC,conservative,"mutant equilibrate failed: system crashed during equilibration at step 244/400 (T=269K, U=1.144e8)"
+26,7qf3,112:P>C;113:L>C;114:L>C,MCPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 294/400 (T=286K, U=1.023e8)"
+29,7qf3,4:K>C,MCCCFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCLGC,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 176/400 (T=228K, U=1.019e8)"
+8,6qqe,2:V>C;96:L>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCCKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 235/400 (T=269K, U=1.007e8)"
+10,6qqe,124:P>N,CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWNRGCRL,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 193/400 (T=245K, U=1.059e8)"
+10,6qqe,58:I>P,CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQPNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 291/400 (T=319K, U=1.061e8)"
+11,6qqe,129:L>F,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRF,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 212/400 (T=223K, U=1.044e8)"
+11,6qqe,101:D>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSCGLGMNAWVAWRNRCKGTDVNAWPRGCRL,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 102/400 (T=159K, U=1.242e8)"
+12,6qqe,106:N>C;107:A>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILHINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 268/400 (T=296K, U=1.015e8)"
+13,6qqe,101:D>C,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILHINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSCGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 90/400 (T=169K, U=1.174e8)"
+13,6qqe,9:A>H;124:P>H,CCFGRCELHAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILHINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMCCWVAWRNRCKGTDVNAWHRGCRL,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 339/400 (T=330K, U=1.158e8)"
+16,6qqe,40:T>H;41:Q>H,CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHHHATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVCDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 207/400 (T=249K, U=1.041e8)"
+18,6qqe,14:R>C,CCFGRCELAAAMCCCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCDGLGMCCWVAWRNRCKGTDVNAWPRGCRL,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 196/400 (T=212K, U=1.205e8)"
+20,6qqe,14:R>N,CCFGRCELAAAMCNCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCCGLGMCCWVAWRNRCKGTDVNAWNNGCRL,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 175/400 (T=235K, U=1.122e8)"
+22,6qqe,122:A>N,CCFGRCELAAAMCRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCCGLGMCCWVAWRNRCKGTDVNNWNNGCNN,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 175/400 (T=230K, U=1.104e8)"
+22,8d8f,21:N>D,KDFGFCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,"mutant equilibrate failed: system crashed during equilibration at step 184/400 (T=223K, U=1.045e8)"
+22,8d8f,21:N>D,KDFGFCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 215/400 (T=244K, U=1.040e8)"
+23,8d8f,77:N>D,KDFGFCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCDIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,"mutant equilibrate failed: system crashed during equilibration at step 254/400 (T=278K, U=1.024e8)"
+23,8d8f,77:N>D,KDFGFCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCDIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL,conservative,"mutant equilibrate failed: system crashed during equilibration at step 272/400 (T=290K, U=1.091e8)"
+5,1jvt,39:R>K,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 120/400 (T=169K, U=1.156e8)"
+5,1jvt,39:R>K,KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 150/400 (T=187K, U=1.046e8)"
+15,1jvt,87:T>L,KETAAAKFERLHMDSEESAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEELGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL,aggressive,"mutant equilibrate failed: system crashed during equilibration at step 397/400 (T=270K, U=1.238e8)"
diff --git a/seventh_mut/n10/runs/posttrain/tensorboard/events.out.tfevents.1787082005.h17r2n06.23180.0.v2 b/seventh_mut/n10/runs/posttrain/tensorboard/events.out.tfevents.1787082005.h17r2n06.23180.0.v2
new file mode 100644
index 0000000000000000000000000000000000000000..e7cf4206a88f8daccf9d7d737397ec05f552d9ee
--- /dev/null
+++ b/seventh_mut/n10/runs/posttrain/tensorboard/events.out.tfevents.1787082005.h17r2n06.23180.0.v2
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:012e5655fed8c56d7e96995b2c6a9b5d59f829d66dc4d372cac6e70a20493a78
+size 78
diff --git a/seventh_mut/n10/runs/posttrain/tensorboard/events.out.tfevents.1787082818.h17r2n06.1015.0.v2 b/seventh_mut/n10/runs/posttrain/tensorboard/events.out.tfevents.1787082818.h17r2n06.1015.0.v2
new file mode 100644
index 0000000000000000000000000000000000000000..ba315ed8330f4ad511f8265a9968c88d85971719
--- /dev/null
+++ b/seventh_mut/n10/runs/posttrain/tensorboard/events.out.tfevents.1787082818.h17r2n06.1015.0.v2
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:5caecb4c3f6ef08f49397959ff29c70e52b8f7fa8ce5a747f8c6ca6223c3f40c
+size 24620
diff --git a/seventh_mut/n10/runs/posttrain/tensorboard/events.out.tfevents.1787114766.h17r2n06.19422.0.v2 b/seventh_mut/n10/runs/posttrain/tensorboard/events.out.tfevents.1787114766.h17r2n06.19422.0.v2
new file mode 100644
index 0000000000000000000000000000000000000000..3921bc8e350ede091d00e7ddeb53fb41b2d6af01
--- /dev/null
+++ b/seventh_mut/n10/runs/posttrain/tensorboard/events.out.tfevents.1787114766.h17r2n06.19422.0.v2
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
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diff --git a/seventh_mut/n10/runs/posttrain/tensorboard/events.out.tfevents.1787141536.h17r2n06.17411.0.v2 b/seventh_mut/n10/runs/posttrain/tensorboard/events.out.tfevents.1787141536.h17r2n06.17411.0.v2
new file mode 100644
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--- /dev/null
+++ b/seventh_mut/n10/runs/posttrain/tensorboard/events.out.tfevents.1787141536.h17r2n06.17411.0.v2
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+size 24620
diff --git a/seventh_mut/n10/runs/posttrain/tensorboard/events.out.tfevents.1787174708.h17r2n06.19151.0.v2 b/seventh_mut/n10/runs/posttrain/tensorboard/events.out.tfevents.1787174708.h17r2n06.19151.0.v2
new file mode 100644
index 0000000000000000000000000000000000000000..e4626d922115e34f491fcda8a86982d5463548de
--- /dev/null
+++ b/seventh_mut/n10/runs/posttrain/tensorboard/events.out.tfevents.1787174708.h17r2n06.19151.0.v2
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
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diff --git a/seventh_mut/n10/runs/posttrain/train.log b/seventh_mut/n10/runs/posttrain/train.log
new file mode 100644
index 0000000000000000000000000000000000000000..498e36b56e3e1eb3d61a3a432703c447c1542e8a
--- /dev/null
+++ b/seventh_mut/n10/runs/posttrain/train.log
@@ -0,0 +1,1580 @@
+[2026-08-19 03:37:02,619] [INFO] [train_post.py:1280] 数据管线初始结构: MEKSFVITDPRLPDNPIIFASDGFLELTEY... n_res=116
+[2026-08-19 03:37:02,780] [INFO] [train_post.py:802] [自检] reward归一化: True | reward±10clip: True | clampA+B: True | place_sidechain: True | pred_ca默认: True
+[2026-08-19 03:37:02,781] [INFO] [train_post.py:803] [自检] sac防护: u_hist归一化: True | 输入清洗: False | y/q clip: False | q clip: False | y兜底: False | NaN梯度置零: False
+[2026-08-19 03:37:02,781] [WARNING] [train_post.py:817] sac.py _update_tf 缺输入 isfinite 清洗（2026-08-15）→ nan 全链传播，SAC 全死！上传最新 sac.py
+[2026-08-19 03:37:02,781] [WARNING] [train_post.py:819] sac.py _update_tf 缺 y/q clip（2026-08-15）→ critic 目标可爆 1e12+ 导致发散！上传最新 sac.py
+[2026-08-19 03:37:02,782] [WARNING] [train_post.py:821] sac.py _update_tf 缺 actor 分支 q clip（2026-08-18）→ critic 输出无界发散！上传最新 sac.py
+[2026-08-19 03:37:02,782] [WARNING] [train_post.py:823] sac.py _update_tf 缺 y isfinite 兜底（2026-08-18）→ NaN 可能漏进 loss！上传最新 sac.py
+[2026-08-19 03:37:02,782] [WARNING] [train_post.py:825] sac.py _update_tf 缺 NaN 梯度置零 → 一次 NaN 梯度毒化全部权重！上传最新 sac.py
+[2026-08-19 03:39:58,395] [INFO] [train_post.py:835] 快筛通过: U=-806279.1 kcal/mol，进入双路探索
+[2026-08-19 03:40:05,284] [INFO] [train_post.py:67] 已加载 Pre-train 权重: ../data/data_efficiency/n10/checkpoints/best_weights.weights.h5
+[2026-08-19 03:43:10,952] [INFO] [train_post.py:907] [anchor] m5 基线: 0.046
+[2026-08-19 03:51:04,215] [INFO] [train_post.py:1282] 数据管线初始结构: MEKSFVITDPRLPDNPIIFASDGFLELTEY... n_res=116
+[2026-08-19 03:51:04,244] [INFO] [train_post.py:804] [自检] reward归一化: True | reward±10clip: True | clampA+B: True | place_sidechain: True | pred_ca默认: True
+[2026-08-19 03:51:04,244] [INFO] [train_post.py:805] [自检] sac防护: u_hist归一化: True | 输入清洗: True | y/q clip: True | q clip: True | y兜底: True | NaN梯度置零: True
+[2026-08-19 03:53:34,076] [INFO] [train_post.py:837] 快筛通过: U=-806206.8 kcal/mol，进入双路探索
+[2026-08-19 03:53:37,941] [INFO] [train_post.py:67] 已加载 Pre-train 权重: ../data/data_efficiency/n10/checkpoints/best_weights.weights.h5
+[2026-08-19 03:56:17,206] [INFO] [train_post.py:909] [anchor] m5 基线: 0.044
+[2026-08-19 04:00:03,458] [WARNING] [train_post.py:1035] [ep 0] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.0, 328.7660928964615, 0.0)
+[2026-08-19 04:01:16,361] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 04:01:16,992] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 58:D>S
+[2026-08-19 04:03:04,083] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDQATVQKIQSAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.91, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep000_0_20.npz
+[2026-08-19 04:03:04,707] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 22:D>S
+[2026-08-19 04:04:57,583] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDNPIIFASSGFLELTEYSREEILGRNGRFLQGPETDQATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.92, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep000_1_20.npz
+[2026-08-19 04:04:58,233] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 22:D>S
+[2026-08-19 04:06:51,065] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDNPIIFASSGFLELTEYSREEILGRNGRFLQGPETDQATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL
+[2026-08-19 04:06:51,699] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 58:D>S
+[2026-08-19 04:08:38,445] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDQATVQKIQSAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL
+[2026-08-19 04:08:39,087] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 60:I>P
+[2026-08-19 04:10:24,681] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDQATVQKIQDAPRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep000_2_20.npz
+[2026-08-19 04:10:25,338] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 22:D>S
+[2026-08-19 04:12:16,981] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDNPIIFASSGFLELTEYSREEILGRNGRFLQGPETDQATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL
+[2026-08-19 04:12:17,499] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 04:12:17,505] [INFO] [train_post.py:1108] 新亲本结构已重建: MEKSFVITDPRLPDNPIIFA... (n_res=116)
+[2026-08-19 04:12:17,575] [INFO] [pseudo_labels.py:75] 伪标签回流: 3 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 24 条）
+[2026-08-19 04:12:17,578] [INFO] [train_post.py:1178] [ep 0] alpha=1.000 buffer=20 | wt=MEKSFVITDPRLPDNPIIFA | 1119s
+[2026-08-19 04:12:20,571] [INFO] [train_post.py:1223] [ep 0] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-19 04:16:03,507] [WARNING] [train_post.py:1035] [ep 1] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (7.31205627322197, 315.84474217891693, 0.0)
+[2026-08-19 04:17:23,765] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 04:17:24,680] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 22:D>S
+[2026-08-19 04:19:29,123] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDNPIIFASSGFLELTEYSREEILGRNGRFLQGPETDQATVQKIQSAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.92, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep001_0_20.npz
+[2026-08-19 04:19:30,039] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 22:D>S
+[2026-08-19 04:21:35,693] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDNPIIFASSGFLELTEYSREEILGRNGRFLQGPETDQATVQKIQSAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL
+[2026-08-19 04:21:36,653] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 47:E>S
+[2026-08-19 04:23:34,854] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPSTDQATVQKIQSAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.92, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep001_1_20.npz
+[2026-08-19 04:23:35,792] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 29:E>S
+[2026-08-19 04:25:39,303] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDNPIIFASDGFLELTSYSREEILGRNGRFLQGPETDQATVQKIQSAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.90, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep001_2_20.npz
+[2026-08-19 04:25:40,275] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 15:N>D;29:E>D
+[2026-08-19 04:27:54,829] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASDGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.92, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep001_3_20.npz
+[2026-08-19 04:27:55,752] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 22:D>S
+[2026-08-19 04:30:00,551] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDNPIIFASSGFLELTEYSREEILGRNGRFLQGPETDQATVQKIQSAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL
+[2026-08-19 04:30:01,341] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 04:30:01,356] [INFO] [train_post.py:1108] 新亲本结构已重建: MEKSFVITDPRLPDNPIIFA... (n_res=116)
+[2026-08-19 04:30:01,380] [INFO] [pseudo_labels.py:75] 伪标签回流: 7 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 56 条）
+[2026-08-19 04:34:21,194] [WARNING] [train_post.py:1035] [ep 2] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.70119696855545, 321.844872713089, 0.0)
+[2026-08-19 04:35:46,356] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 04:35:47,446] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 15:N>D;29:E>D
+[2026-08-19 04:38:00,438] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.92, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep002_0_20.npz
+[2026-08-19 04:38:01,277] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 62:D>R;63:Q>R;116:L>R
+[2026-08-19 04:40:08,343] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDNPIIFASSGFLELTEYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR (steps=20, Q=0.92, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep002_1_20.npz
+[2026-08-19 04:40:09,200] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 47:E>S
+[2026-08-19 04:41:59,507] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDNPIIFASSGFLELTEYSREEILGRNGRFLQGPSTDQATVQKIQSAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.90, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep002_2_20.npz
+[2026-08-19 04:42:00,242] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 04:42:00,262] [INFO] [train_post.py:1108] 新亲本结构已重建: MEKSFVITDPRLPDDPIIFA... (n_res=116)
+[2026-08-19 04:42:00,282] [INFO] [pseudo_labels.py:75] 伪标签回流: 10 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 80 条）
+[2026-08-19 04:45:44,637] [WARNING] [train_post.py:1035] [ep 3] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.933171182870865, 321.4723710119724, 0.0)
+[2026-08-19 04:46:55,718] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 04:46:56,369] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 62:D>R;116:L>R
+[2026-08-19 04:48:52,152] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR (steps=20, Q=0.91, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep003_0_20.npz
+[2026-08-19 04:48:52,781] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 47:E>S
+[2026-08-19 04:50:44,649] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPSTDQATVQKIQSAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep003_1_20.npz
+[2026-08-19 04:50:45,579] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 36:L>P
+[2026-08-19 04:52:48,351] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEIPGRNGRFLQGPETDQATVQKIQSAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.90, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep003_2_20.npz
+[2026-08-19 04:52:49,292] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 46:P>S;47:E>S;48:T>S
+[2026-08-19 04:54:53,523] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGSSSDQATVQKIQSAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.90, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep003_3_20.npz
+[2026-08-19 04:54:54,452] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 47:E>S
+[2026-08-19 04:56:54,411] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPSTDQATVQKIQSAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL
+[2026-08-19 04:56:55,204] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 04:56:55,242] [INFO] [train_post.py:1108] 新亲本结构已重建: MEKSFVITDPRLPDDPIIFA... (n_res=116)
+[2026-08-19 04:56:55,271] [INFO] [pseudo_labels.py:75] 伪标签回流: 14 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 112 条）
+[2026-08-19 05:01:23,634] [WARNING] [train_post.py:1035] [ep 4] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 306.4225342273712, 0.0)
+[2026-08-19 05:02:49,733] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 05:02:50,682] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 63:Q>R
+[2026-08-19 05:05:05,090] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR (steps=20, Q=0.90, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep004_0_20.npz
+[2026-08-19 05:05:06,016] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 36:L>P
+[2026-08-19 05:07:14,963] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEIPGRNGRFLQGPETDQATVQKIQSAIRRQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep004_1_20.npz
+[2026-08-19 05:07:15,929] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 59:A>P
+[2026-08-19 05:09:29,871] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSPIRRQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR (steps=20, Q=0.90, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep004_2_20.npz
+[2026-08-19 05:09:30,716] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 47:E>S
+[2026-08-19 05:11:27,981] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPSTDQATVQKIQSAIRRQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep004_3_20.npz
+[2026-08-19 05:11:28,840] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 69:Q>K
+[2026-08-19 05:13:40,741] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRQREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep004_4_20.npz
+[2026-08-19 05:13:41,591] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 36:L>P
+[2026-08-19 05:15:37,021] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEIPGRNGRFLQGPETDQATVQKIQSAIRRQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR
+[2026-08-19 05:15:37,539] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 05:15:37,578] [INFO] [train_post.py:1108] 新亲本结构已重建: MEKSFVITDPRLPDDPIIFA... (n_res=116)
+[2026-08-19 05:15:37,608] [INFO] [pseudo_labels.py:75] 伪标签回流: 19 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 152 条）
+[2026-08-19 05:19:30,220] [WARNING] [train_post.py:1035] [ep 5] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (3.379601001739502, 319.8912260532379, 0.0)
+[2026-08-19 05:20:43,668] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 05:20:44,306] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 116:R>V
+[2026-08-19 05:22:34,779] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.88, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep005_0_20.npz
+[2026-08-19 05:22:35,409] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 59:A>P
+[2026-08-19 05:24:34,421] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSPIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep005_1_20.npz
+[2026-08-19 05:24:35,364] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 69:Q>K
+[2026-08-19 05:26:52,368] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep005_2_20.npz
+[2026-08-19 05:26:53,300] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 36:L>P
+[2026-08-19 05:28:59,282] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEIPGRNGRFLQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep005_3_20.npz
+[2026-08-19 05:29:00,174] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:L>I
+[2026-08-19 05:31:21,503] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep005_4_20.npz
+[2026-08-19 05:31:22,401] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 69:Q>K
+[2026-08-19 05:33:35,972] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR
+[2026-08-19 05:33:36,836] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 69:Q>K
+[2026-08-19 05:35:53,193] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR
+[2026-08-19 05:35:54,088] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 52:T>W
+[2026-08-19 05:38:14,003] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQAWVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGR (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep005_5_20.npz
+[2026-08-19 05:38:14,740] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 05:38:14,780] [INFO] [train_post.py:1108] 新亲本结构已重建: MEKSFVITDPRLPDDPIIFA... (n_res=116)
+[2026-08-19 05:38:14,828] [INFO] [pseudo_labels.py:75] 伪标签回流: 25 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 200 条）
+[2026-08-19 05:42:40,405] [WARNING] [train_post.py:1035] [ep 6] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (7.166250824928284, 324.99619165062904, 0.0)
+[2026-08-19 05:44:06,994] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 05:44:07,903] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 69:Q>K
+[2026-08-19 05:46:33,417] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.90, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep006_0_20.npz
+[2026-08-19 05:46:34,208] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:L>I
+[2026-08-19 05:48:40,412] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.90, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep006_1_20.npz
+[2026-08-19 05:48:41,215] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 69:Q>K
+[2026-08-19 05:50:50,481] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV
+[2026-08-19 05:50:51,092] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 36:L>P
+[2026-08-19 05:52:41,422] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEIPGRNGRFLQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep006_2_20.npz
+[2026-08-19 05:52:42,056] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:L>I
+[2026-08-19 05:54:43,143] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV
+[2026-08-19 05:54:43,773] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 3:K>P
+[2026-08-19 05:56:33,295] [INFO] [train_post.py:707] 存活突变体: MEPSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep006_3_20.npz
+[2026-08-19 05:56:33,918] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 3:K>P
+[2026-08-19 05:58:24,638] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEPSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV
+[2026-08-19 05:58:25,253] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 68:V>K
+[2026-08-19 06:00:16,731] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITKQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep006_4_20.npz
+[2026-08-19 06:00:17,225] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 06:00:17,263] [INFO] [train_post.py:1108] 新亲本结构已重建: MEKSFVITDPRLPDDPIIFA... (n_res=116)
+[2026-08-19 06:00:17,299] [INFO] [pseudo_labels.py:75] 伪标签回流: 30 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 240 条）
+[2026-08-19 06:04:07,462] [WARNING] [train_post.py:1035] [ep 7] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 317.5157056450844, 0.0)
+[2026-08-19 06:05:20,417] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 06:05:21,029] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 68:V>K
+[2026-08-19 06:07:35,637] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep007_0_20.npz
+[2026-08-19 06:07:36,262] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:L>I
+[2026-08-19 06:09:57,657] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.90, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep007_1_20.npz
+[2026-08-19 06:09:58,550] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:L>I
+[2026-08-19 06:12:11,315] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV
+[2026-08-19 06:12:12,210] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 68:V>K
+[2026-08-19 06:14:46,827] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV
+[2026-08-19 06:14:47,730] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 14:D>N
+[2026-08-19 06:16:53,315] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPNDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep007_2_20.npz
+[2026-08-19 06:16:54,209] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 71:I>K
+[2026-08-19 06:19:13,764] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITVKLKNYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.89, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep007_3_20.npz
+[2026-08-19 06:19:14,528] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 06:19:14,583] [INFO] [train_post.py:1108] 新亲本结构已重建: MEKSFVITDPRLPDDPIIFA... (n_res=116)
+[2026-08-19 06:19:14,652] [INFO] [pseudo_labels.py:75] 伪标签回流: 34 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 272 条）
+[2026-08-19 06:23:43,466] [WARNING] [train_post.py:1035] [ep 8] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.320913672447205, 310.5689543187618, 0.0)
+[2026-08-19 06:25:09,568] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 06:25:10,468] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:L>I
+[2026-08-19 06:27:22,103] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.90, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep008_0_20.npz
+[2026-08-19 06:27:22,729] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:L>I
+[2026-08-19 06:29:23,608] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV
+[2026-08-19 06:29:24,225] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 71:I>K
+[2026-08-19 06:31:25,368] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITKKLKNYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep008_1_20.npz
+[2026-08-19 06:31:25,979] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 9:D>K;10:P>K;71:I>K
+[2026-08-19 06:33:27,292] [INFO] [train_post.py:707] 存活突变体: MEKSFVITKKRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITKKLKNYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.88, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep008_2_20.npz
+[2026-08-19 06:33:27,901] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 8:T>K
+[2026-08-19 06:35:20,077] [INFO] [train_post.py:707] 存活突变体: MEKSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep008_3_20.npz
+[2026-08-19 06:35:20,695] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 57:Q>K
+[2026-08-19 06:37:14,994] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFLQGPETDQATVQKIKSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep008_4_20.npz
+[2026-08-19 06:37:15,497] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 06:37:15,544] [INFO] [train_post.py:1108] 新亲本结构已重建: MEKSFVITDPRLPDDPIIFA... (n_res=116)
+[2026-08-19 06:37:15,583] [INFO] [pseudo_labels.py:75] 伪标签回流: 39 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 312 条）
+[2026-08-19 06:41:04,111] [WARNING] [train_post.py:1035] [ep 9] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 307.2011085152626, 0.0)
+[2026-08-19 06:42:22,788] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 06:42:23,677] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 8:T>K
+[2026-08-19 06:44:36,452] [INFO] [train_post.py:707] 存活突变体: MEKSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep009_0_20.npz
+[2026-08-19 06:44:37,338] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 57:Q>K
+[2026-08-19 06:46:49,155] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIKSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep009_1_20.npz
+[2026-08-19 06:46:50,035] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 38:R>I
+[2026-08-19 06:49:00,286] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep009_2_20.npz
+[2026-08-19 06:49:01,167] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 3:K>P
+[2026-08-19 06:51:11,458] [INFO] [train_post.py:707] 存活突变体: MEPSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.90, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep009_3_20.npz
+[2026-08-19 06:51:12,337] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 70:L>K;71:I>K
+[2026-08-19 06:53:51,750] [INFO] [train_post.py:707] 存活突变体: MEKSFVITDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKKKNYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep009_4_20.npz
+[2026-08-19 06:53:52,509] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 06:53:52,573] [INFO] [train_post.py:1108] 新亲本结构已重建: MEKSFVIKDPRLPDDPIIFA... (n_res=116)
+[2026-08-19 06:53:52,663] [INFO] [pseudo_labels.py:75] 伪标签回流: 44 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 352 条）
+[2026-08-19 06:58:24,107] [WARNING] [train_post.py:1035] [ep 10] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 312.34303972125053, 0.0)
+[2026-08-19 06:59:49,416] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 06:59:50,419] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 3:K>P
+[2026-08-19 07:02:04,621] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep010_0_20.npz
+[2026-08-19 07:02:05,563] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 38:R>I
+[2026-08-19 07:04:10,228] [INFO] [train_post.py:707] 存活突变体: MEKSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep010_1_20.npz
+[2026-08-19 07:04:11,077] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 57:Q>K
+[2026-08-19 07:06:25,391] [INFO] [train_post.py:707] 存活突变体: MEKSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIKSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep010_2_20.npz
+[2026-08-19 07:06:26,233] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 57:Q>K
+[2026-08-19 07:08:37,450] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEKSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIKSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV
+[2026-08-19 07:08:38,082] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 3:K>P
+[2026-08-19 07:10:31,202] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEPSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV
+[2026-08-19 07:10:31,834] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 9:D>K
+[2026-08-19 07:12:26,814] [INFO] [train_post.py:707] 存活突变体: MEKSFVIKKPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.91, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep010_3_20.npz
+[2026-08-19 07:12:27,453] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 58:S>K
+[2026-08-19 07:14:35,990] [INFO] [train_post.py:707] 存活突变体: MEKSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQKAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep010_4_20.npz
+[2026-08-19 07:14:36,503] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 07:14:36,559] [INFO] [train_post.py:1108] 新亲本结构已重建: MEPSFVIKDPRLPDDPIIFA... (n_res=116)
+[2026-08-19 07:14:36,611] [INFO] [pseudo_labels.py:75] 伪标签回流: 49 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 392 条）
+[2026-08-19 07:14:37,000] [INFO] [train_post.py:1175] [ep 10] Head D 置信度 loss: 0.3519
+[2026-08-19 07:14:37,001] [INFO] [train_post.py:1178] [ep 10] alpha=1.000 buffer=220 | wt=MEPSFVIKDPRLPDDPIIFA | 12059s
+[2026-08-19 07:14:37,443] [INFO] [train_post.py:1223] [ep 10] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-19 07:18:28,219] [WARNING] [train_post.py:1035] [ep 11] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.53082412481308, 309.2222909629345, 0.0)
+[2026-08-19 07:19:39,400] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 07:19:40,024] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 9:D>K
+[2026-08-19 07:21:32,621] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.87, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep011_0_20.npz
+[2026-08-19 07:21:33,252] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 38:R>I
+[2026-08-19 07:23:25,965] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKDPRLPDDPIIFASSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep011_1_20.npz
+[2026-08-19 07:23:26,606] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 10:P>K
+[2026-08-19 07:25:20,104] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKDKRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep011_2_20.npz
+[2026-08-19 07:25:20,726] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 2:E>P;4:S>P
+[2026-08-19 07:27:30,384] [INFO] [train_post.py:707] 存活突变体: MPPPFVIKDPRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep011_3_20.npz
+[2026-08-19 07:27:31,169] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 07:27:31,285] [INFO] [train_post.py:1108] 新亲本结构已重建: MEPSFVIKKPRLPDDPIIFA... (n_res=116)
+[2026-08-19 07:27:31,379] [INFO] [pseudo_labels.py:75] 伪标签回流: 53 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 424 条）
+[2026-08-19 07:32:00,161] [WARNING] [train_post.py:1035] [ep 12] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.618993401527405, 309.7658029794693, 0.0)
+[2026-08-19 07:33:36,725] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 07:33:37,656] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 38:R>I
+[2026-08-19 07:35:49,041] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKPRLPDDPIIFASSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep012_0_20.npz
+[2026-08-19 07:35:50,037] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 10:P>K
+[2026-08-19 07:38:07,111] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFASSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep012_1_20.npz
+[2026-08-19 07:38:08,026] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 20:A>I
+[2026-08-19 07:40:23,250] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKPRLPDDPIIFISSGFLELTDYSREEILGRNGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep012_2_20.npz
+[2026-08-19 07:40:24,034] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 07:40:24,116] [INFO] [train_post.py:1108] 新亲本结构已重建: MEPSFVIKKPRLPDDPIIFA... (n_res=116)
+[2026-08-19 07:40:24,185] [INFO] [pseudo_labels.py:75] 伪标签回流: 56 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 448 条）
+[2026-08-19 07:44:52,829] [WARNING] [train_post.py:1035] [ep 13] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.353095531463623, 313.9817736148834, 0.0)
+[2026-08-19 07:46:08,280] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 07:46:08,917] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 10:P>K
+[2026-08-19 07:48:03,594] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFASSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.87, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep013_0_20.npz
+[2026-08-19 07:48:04,226] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 20:A>I
+[2026-08-19 07:50:02,394] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKPRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep013_1_20.npz
+[2026-08-19 07:50:03,047] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 10:P>K
+[2026-08-19 07:51:57,538] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEPSFVIKKKRLPDDPIIFASSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV
+[2026-08-19 07:51:58,187] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 20:A>I
+[2026-08-19 07:53:57,243] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEPSFVIKKPRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV
+[2026-08-19 07:53:57,756] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 07:53:57,825] [INFO] [train_post.py:1108] 新亲本结构已重建: MEPSFVIKKKRLPDDPIIFA... (n_res=116)
+[2026-08-19 07:53:57,882] [INFO] [pseudo_labels.py:75] 伪标签回流: 58 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 464 条）
+[2026-08-19 07:57:51,464] [WARNING] [train_post.py:1035] [ep 14] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (5.308870255947113, 309.98622581362724, 0.0)
+[2026-08-19 07:59:04,770] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 07:59:05,389] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 20:A>I
+[2026-08-19 08:01:05,605] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep014_0_20.npz
+[2026-08-19 08:01:06,530] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 20:A>I
+[2026-08-19 08:03:21,746] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV
+[2026-08-19 08:03:22,766] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 20:A>I
+[2026-08-19 08:05:37,631] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV
+[2026-08-19 08:05:38,555] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 67:T>K
+[2026-08-19 08:08:05,511] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFASSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREIKKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep014_1_20.npz
+[2026-08-19 08:08:06,441] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 20:A>I
+[2026-08-19 08:10:20,972] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV
+[2026-08-19 08:10:21,763] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 08:10:21,860] [INFO] [train_post.py:1108] 新亲本结构已重建: MEPSFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 08:10:21,960] [INFO] [pseudo_labels.py:75] 伪标签回流: 60 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 480 条）
+[2026-08-19 08:14:59,029] [WARNING] [train_post.py:1035] [ep 15] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.5215020179748535, 308.25407791137695, 0.0)
+[2026-08-19 08:16:26,802] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 08:17:58,180] [WARNING] [train_post.py:1035] [ep 16] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 321.0378311276436, 0.0)
+[2026-08-19 08:19:25,702] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 08:19:26,652] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 82:N>C
+[2026-08-19 08:22:14,476] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWCLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.87, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep016_0_20.npz
+[2026-08-19 08:22:15,287] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 39:N>I
+[2026-08-19 08:24:19,596] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.87, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep016_1_20.npz
+[2026-08-19 08:24:20,295] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 08:24:20,385] [INFO] [train_post.py:1108] 新亲本结构已重建: MEPSFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 08:24:20,457] [INFO] [pseudo_labels.py:75] 伪标签回流: 62 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 496 条）
+[2026-08-19 08:28:21,029] [WARNING] [train_post.py:1035] [ep 17] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.623745501041412, 305.40301847457886, 0.0)
+[2026-08-19 08:29:32,905] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 08:29:33,536] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 39:N>I
+[2026-08-19 08:31:34,274] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWCLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep017_0_20.npz
+[2026-08-19 08:31:34,902] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 102:V>C
+[2026-08-19 08:33:29,415] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep017_1_20.npz
+[2026-08-19 08:33:30,056] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 58:S>C
+[2026-08-19 08:36:07,039] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGINGRFIQGPETDQATVQKIQCAIRRRREITKKLINYTKSGKKFWCLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep017_2_20.npz
+[2026-08-19 08:36:07,872] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 08:36:07,966] [INFO] [train_post.py:1108] 新亲本结构已重建: MEPSFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 08:36:08,118] [INFO] [pseudo_labels.py:75] 伪标签回流: 65 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 520 条）
+[2026-08-19 08:40:39,571] [WARNING] [train_post.py:1035] [ep 18] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.689333140850067, 282.34220364689827, 0.0)
+[2026-08-19 08:42:30,327] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 08:42:31,222] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 102:V>C
+[2026-08-19 08:44:55,358] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.87, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep018_0_20.npz
+[2026-08-19 08:44:56,371] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:S>I;58:S>C
+[2026-08-19 08:47:52,671] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFIISGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQCAIRRRREITKKLINYTKSGKKFWCLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep018_1_20.npz
+[2026-08-19 08:47:53,602] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 74:T>C
+[2026-08-19 08:50:05,672] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQSAIRRRREITKKLINYCKSGKKFWCLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep018_2_20.npz
+[2026-08-19 08:50:06,593] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 58:S>C
+[2026-08-19 08:53:00,232] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQCAIRRRREITKKLINYTKSGKKFWCLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGV (steps=20, Q=0.87, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep018_3_20.npz
+[2026-08-19 08:53:01,048] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 08:53:01,148] [INFO] [train_post.py:1108] 新亲本结构已重建: MEPSFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 08:53:01,244] [INFO] [pseudo_labels.py:75] 伪标签回流: 69 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 552 条）
+[2026-08-19 08:57:17,601] [WARNING] [train_post.py:1035] [ep 19] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 292.04788613319397, 0.0)
+[2026-08-19 08:58:39,115] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 08:58:40,033] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 57:Q>C;58:S>C;59:A>C
+[2026-08-19 09:00:48,714] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTKSGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep019_0_20.npz
+[2026-08-19 09:00:49,347] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 75:K>C;76:S>C
+[2026-08-19 09:03:00,334] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 205/400 (T=232K, U=1.052e8)
+[2026-08-19 09:03:00,978] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 90:R>C
+[2026-08-19 09:04:49,666] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTKSGKKFWCLLHLQPMCDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep019_1_20.npz
+[2026-08-19 09:04:50,311] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 75:K>C
+[2026-08-19 09:06:52,125] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKIQSAIRRRREITKKLINYTCSGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.89, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep019_2_20.npz
+[2026-08-19 09:06:52,638] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 09:06:52,718] [INFO] [train_post.py:1108] 新亲本结构已重建: MEPSFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 09:06:52,810] [INFO] [pseudo_labels.py:75] 伪标签回流: 72 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 576 条）
+[2026-08-19 09:11:09,689] [WARNING] [train_post.py:1035] [ep 20] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.569898724555969, 313.61932224035263, 0.0)
+[2026-08-19 09:12:21,615] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 09:12:22,252] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 75:K>C
+[2026-08-19 09:14:16,142] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTCSGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep020_0_20.npz
+[2026-08-19 09:14:16,776] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 90:R>C
+[2026-08-19 09:16:06,045] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTKSGKKFWCLLHLQPMCDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep020_1_20.npz
+[2026-08-19 09:16:06,683] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 75:K>C
+[2026-08-19 09:18:02,149] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTCSGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV
+[2026-08-19 09:18:02,781] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 89:M>C;90:R>C
+[2026-08-19 09:19:52,108] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTKSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep020_2_20.npz
+[2026-08-19 09:19:52,760] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 89:M>C
+[2026-08-19 09:21:41,760] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTKSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.87, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep020_3_20.npz
+[2026-08-19 09:21:42,290] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 09:21:42,372] [INFO] [train_post.py:1108] 新亲本结构已重建: MEPSFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 09:21:42,444] [INFO] [pseudo_labels.py:75] 伪标签回流: 76 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 608 条）
+[2026-08-19 09:21:42,448] [INFO] [train_post.py:1175] [ep 20] Head D 置信度 loss: 0.3604
+[2026-08-19 09:21:42,449] [INFO] [train_post.py:1178] [ep 20] alpha=0.997 buffer=420 | wt=MEPSFVIKKKRLPDDPIIFI | 19684s
+[2026-08-19 09:21:43,150] [INFO] [train_post.py:1223] [ep 20] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-19 09:25:32,614] [WARNING] [train_post.py:1035] [ep 21] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 325.2378552556038, 0.0)
+[2026-08-19 09:26:46,173] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 09:26:46,843] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 89:M>C
+[2026-08-19 09:28:36,850] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep021_0_20.npz
+[2026-08-19 09:28:37,489] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 89:M>C
+[2026-08-19 09:30:34,839] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV
+[2026-08-19 09:30:35,757] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 4:S>K
+[2026-08-19 09:32:59,080] [INFO] [train_post.py:707] 存活突变体: MEPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTCSGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep021_1_20.npz
+[2026-08-19 09:33:00,107] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 74:T>C
+[2026-08-19 09:35:09,814] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPMRDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep021_2_20.npz
+[2026-08-19 09:35:10,622] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 09:35:10,738] [INFO] [train_post.py:1108] 新亲本结构已重建: MEPSFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 09:35:11,142] [INFO] [pseudo_labels.py:75] 伪标签回流: 79 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 632 条）
+[2026-08-19 09:39:44,096] [WARNING] [train_post.py:1035] [ep 22] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.0, 266.41766622662544, 0.0)
+[2026-08-19 09:41:11,408] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 09:41:12,344] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 74:T>C
+[2026-08-19 09:43:30,045] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.87, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep022_0_20.npz
+[2026-08-19 09:43:30,972] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 4:S>K
+[2026-08-19 09:45:53,619] [INFO] [train_post.py:707] 存活突变体: MEPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.87, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep022_1_20.npz
+[2026-08-19 09:45:54,543] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 116:V>C
+[2026-08-19 09:48:00,615] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYTCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGC (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep022_2_20.npz
+[2026-08-19 09:48:01,400] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 09:48:01,517] [INFO] [train_post.py:1108] 新亲本结构已重建: MEPSFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 09:48:01,970] [INFO] [pseudo_labels.py:75] 伪标签回流: 82 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 656 条）
+[2026-08-19 09:52:28,669] [WARNING] [train_post.py:1035] [ep 23] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.714051127433777, 306.58370381593704, 0.0)
+[2026-08-19 09:53:50,171] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 09:53:50,969] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 4:S>K
+[2026-08-19 09:56:02,184] [INFO] [train_post.py:707] 存活突变体: MEPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep023_0_20.npz
+[2026-08-19 09:56:02,819] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 116:V>C
+[2026-08-19 09:57:49,086] [INFO] [train_post.py:707] 存活突变体: MEPSFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGC (steps=20, Q=0.87, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep023_1_20.npz
+[2026-08-19 09:57:49,713] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 4:S>K
+[2026-08-19 09:59:51,483] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MEPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV
+[2026-08-19 09:59:52,091] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 116:V>C
+[2026-08-19 10:01:34,794] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 244/400 (T=269K, U=1.144e8)
+[2026-08-19 10:01:35,287] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 10:01:35,376] [INFO] [train_post.py:1108] 新亲本结构已重建: MEPKFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 10:01:35,478] [INFO] [pseudo_labels.py:75] 伪标签回流: 84 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 672 条）
+[2026-08-19 10:05:27,826] [WARNING] [train_post.py:1035] [ep 24] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 306.0906395316124, 0.0)
+[2026-08-19 10:06:41,239] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 10:06:41,862] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 116:V>C
+[2026-08-19 10:08:39,079] [INFO] [train_post.py:707] 存活突变体: MEPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGC (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep024_0_20.npz
+[2026-08-19 10:08:39,989] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 3:P>K
+[2026-08-19 10:11:00,043] [INFO] [train_post.py:707] 存活突变体: MEKKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep024_1_20.npz
+[2026-08-19 10:11:00,947] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 3:P>C
+[2026-08-19 10:13:22,266] [INFO] [train_post.py:707] 存活突变体: MECKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPLLGV (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep024_2_20.npz
+[2026-08-19 10:13:23,073] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 10:13:23,165] [INFO] [train_post.py:1108] 新亲本结构已重建: MEPKFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 10:13:23,258] [INFO] [pseudo_labels.py:75] 伪标签回流: 87 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 696 条）
+[2026-08-19 10:17:53,686] [WARNING] [train_post.py:1035] [ep 25] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.102695047855377, 298.9237941503525, 0.0)
+[2026-08-19 10:19:23,595] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 10:19:24,466] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 2:E>C;90:R>C
+[2026-08-19 10:21:54,331] [INFO] [train_post.py:707] 存活突变体: MCPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNPLLGC (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep025_0_20.npz
+[2026-08-19 10:21:55,232] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 112:P>C;113:L>C
+[2026-08-19 10:24:01,754] [INFO] [train_post.py:707] 存活突变体: MEPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNCCLGC (steps=20, Q=0.88, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep025_1_20.npz
+[2026-08-19 10:24:02,763] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 113:L>C
+[2026-08-19 10:26:10,114] [INFO] [train_post.py:707] 存活突变体: MEPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCRDQKGELQYFIGCQLDGEFIPNPCLGC (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep025_2_20.npz
+[2026-08-19 10:26:10,759] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 10:26:10,874] [INFO] [train_post.py:1108] 新亲本结构已重建: MCPKFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 10:26:10,992] [INFO] [pseudo_labels.py:75] 伪标签回流: 90 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 720 条）
+[2026-08-19 10:30:26,577] [WARNING] [train_post.py:1035] [ep 26] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (3.5929508209228516, 289.19465923309326, 0.0)
+[2026-08-19 10:31:46,347] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 10:31:47,171] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 113:L>C
+[2026-08-19 10:33:40,342] [INFO] [train_post.py:707] 存活突变体: MCPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNPCLGC (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep026_0_20.npz
+[2026-08-19 10:33:40,965] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 3:P>C;4:K>C
+[2026-08-19 10:35:41,414] [INFO] [train_post.py:707] 存活突变体: MCCCFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNPLLGC (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep026_1_20.npz
+[2026-08-19 10:35:42,044] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 113:L>C
+[2026-08-19 10:37:33,473] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MCPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNPCLGC
+[2026-08-19 10:37:34,092] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 3:P>C
+[2026-08-19 10:40:06,069] [INFO] [train_post.py:707] 存活突变体: MCCKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNPLLGC (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep026_2_20.npz
+[2026-08-19 10:40:06,700] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 112:P>C;113:L>C;114:L>C
+[2026-08-19 10:42:32,103] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 294/400 (T=286K, U=1.023e8)
+[2026-08-19 10:42:32,605] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 10:42:32,700] [INFO] [train_post.py:1108] 新亲本结构已重建: MCPKFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 10:42:32,789] [INFO] [pseudo_labels.py:75] 伪标签回流: 93 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 744 条）
+[2026-08-19 10:46:56,304] [WARNING] [train_post.py:1035] [ep 27] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.0, 278.3597435951233, 0.0)
+[2026-08-19 10:48:24,519] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 10:48:25,456] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 112:P>C
+[2026-08-19 10:50:30,914] [INFO] [train_post.py:707] 存活突变体: MCPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCLGC (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep027_0_20.npz
+[2026-08-19 10:50:31,835] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 4:K>C
+[2026-08-19 10:52:51,274] [INFO] [train_post.py:707] 存活突变体: MCPCFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNPCLGC (steps=20, Q=0.88, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep027_1_20.npz
+[2026-08-19 10:52:52,188] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 112:P>C
+[2026-08-19 10:54:57,194] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MCPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCLGC
+[2026-08-19 10:54:58,076] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 3:P>C
+[2026-08-19 10:57:18,556] [INFO] [train_post.py:707] 存活突变体: MCCKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNPCLGC (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep027_2_20.npz
+[2026-08-19 10:57:19,356] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 10:57:19,488] [INFO] [train_post.py:1108] 新亲本结构已重建: MCPKFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 10:57:19,649] [INFO] [pseudo_labels.py:75] 伪标签回流: 96 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 768 条）
+[2026-08-19 11:01:50,838] [WARNING] [train_post.py:1035] [ep 28] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.818237543106079, 330.0, 0.0)
+[2026-08-19 11:03:17,954] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 11:03:18,877] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 3:P>C
+[2026-08-19 11:05:40,375] [INFO] [train_post.py:707] 存活突变体: MCCKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCLGC (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep028_0_20.npz
+[2026-08-19 11:05:41,217] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 3:P>C
+[2026-08-19 11:07:59,291] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MCCKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCLGC
+[2026-08-19 11:07:59,926] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 3:P>C
+[2026-08-19 11:09:58,930] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MCCKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCLGC
+[2026-08-19 11:09:59,567] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 114:L>C
+[2026-08-19 11:11:50,088] [INFO] [train_post.py:707] 存活突变体: MCPKFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep028_1_20.npz
+[2026-08-19 11:11:50,599] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 11:11:50,694] [INFO] [train_post.py:1108] 新亲本结构已重建: MCCKFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 11:11:50,803] [INFO] [pseudo_labels.py:75] 伪标签回流: 98 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 784 条）
+[2026-08-19 11:15:40,949] [WARNING] [train_post.py:1035] [ep 29] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 316.97999382019043, 0.0)
+[2026-08-19 11:16:51,984] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 11:16:52,612] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 4:K>C
+[2026-08-19 11:18:29,162] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 176/400 (T=228K, U=1.019e8)
+[2026-08-19 11:18:29,821] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 4:K>C
+[2026-08-19 11:20:33,928] [INFO] [train_post.py:707] 存活突变体: MCCCFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCLGC (steps=20, Q=0.88, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep029_0_20.npz
+[2026-08-19 11:20:34,564] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 4:K>C
+[2026-08-19 11:22:39,721] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MCCCFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCLGC
+[2026-08-19 11:22:40,227] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 11:22:40,317] [INFO] [train_post.py:1108] 新亲本结构已重建: MCCCFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 11:22:40,736] [INFO] [pseudo_labels.py:75] 伪标签回流: 99 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 792 条）
+[2026-08-19 11:26:32,877] [WARNING] [train_post.py:1035] [ep 30] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (7.873609304428101, 278.4346995651722, 0.0)
+[2026-08-19 11:27:44,732] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 11:27:44,743] [INFO] [train_post.py:1175] [ep 30] Head D 置信度 loss: 0.3476
+[2026-08-19 11:27:44,744] [INFO] [train_post.py:1178] [ep 30] alpha=0.993 buffer=620 | wt=MCCCFVIKKKRLPDDPIIFI | 27247s
+[2026-08-19 11:27:45,187] [INFO] [train_post.py:1223] [ep 30] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-19 11:29:05,268] [WARNING] [train_post.py:1035] [ep 31] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 264.6097798347473, 0.0)
+[2026-08-19 11:30:18,974] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 11:30:19,597] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 114:L>C
+[2026-08-19 11:32:08,374] [INFO] [train_post.py:707] 存活突变体: MCCCFVIKKKRLPDDPIIFISSGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep031_0_20.npz
+[2026-08-19 11:32:08,880] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 11:32:08,972] [INFO] [train_post.py:1108] 新亲本结构已重建: MCCCFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 11:32:09,094] [INFO] [pseudo_labels.py:75] 伪标签回流: 100 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 800 条）
+[2026-08-19 11:36:35,106] [WARNING] [train_post.py:1035] [ep 32] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.0, 275.57208263874054, 0.0)
+[2026-08-19 11:38:01,673] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 11:39:31,687] [WARNING] [train_post.py:1035] [ep 33] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.0, 328.60678029060364, 0.0)
+[2026-08-19 11:40:57,740] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 11:42:26,868] [WARNING] [train_post.py:1035] [ep 34] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.765944242477417, 303.9805520772934, 0.0)
+[2026-08-19 11:43:50,353] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 11:43:51,267] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 36:L>P;38:I>P
+[2026-08-19 11:46:09,981] [INFO] [train_post.py:707] 存活突变体: MCCCFVIKKKRLPDDPIIFISSGFLELTDYSREEIPGPIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC (steps=20, Q=0.88, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep034_0_20.npz
+[2026-08-19 11:46:10,907] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:S>I;22:S>I
+[2026-08-19 11:48:32,957] [INFO] [train_post.py:707] 存活突变体: MCCCFVIKKKRLPDDPIIFIIIGFLELTDYSREEILGIIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep034_1_20.npz
+[2026-08-19 11:48:33,752] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 11:48:33,884] [INFO] [train_post.py:1108] 新亲本结构已重建: MCCCFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 11:48:35,054] [INFO] [pseudo_labels.py:75] 伪标签回流: 102 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 816 条）
+[2026-08-19 11:52:56,509] [WARNING] [train_post.py:1035] [ep 35] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.688955545425415, 311.43693071603775, 0.0)
+[2026-08-19 11:54:16,219] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 11:54:17,041] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 22:S>I
+[2026-08-19 11:56:28,310] [INFO] [train_post.py:707] 存活突变体: MCCCFVIKKKRLPDDPIIFISIGFLELTDYSREEIPGPIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep035_0_20.npz
+[2026-08-19 11:56:29,129] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:S>I
+[2026-08-19 11:58:31,479] [INFO] [train_post.py:707] 存活突变体: MCCCFVIKKKRLPDDPIIFIISGFLELTDYSREEIPGPIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep035_1_20.npz
+[2026-08-19 11:58:31,975] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 11:58:32,074] [INFO] [train_post.py:1108] 新亲本结构已重建: MCCCFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 11:58:32,170] [INFO] [pseudo_labels.py:75] 伪标签回流: 104 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 832 条）
+[2026-08-19 12:02:22,701] [WARNING] [train_post.py:1035] [ep 36] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.34460461139679, 319.2113914489746, 0.0)
+[2026-08-19 12:03:38,826] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 12:03:39,448] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:S>I
+[2026-08-19 12:05:39,671] [INFO] [train_post.py:707] 存活突变体: MCCCFVIKKKRLPDDPIIFIIIGFLELTDYSREEIPGPIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep036_0_20.npz
+[2026-08-19 12:05:40,181] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 12:05:40,280] [INFO] [train_post.py:1108] 新亲本结构已重建: MCCCFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 12:05:40,400] [INFO] [pseudo_labels.py:75] 伪标签回流: 105 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 840 条）
+[2026-08-19 12:09:30,074] [WARNING] [train_post.py:1035] [ep 37] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.341865181922913, 327.8239233493805, 0.0)
+[2026-08-19 12:10:41,697] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 12:10:42,316] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:Q>S
+[2026-08-19 12:12:32,461] [INFO] [train_post.py:707] 存活突变体: MCCCFVIKKKRLPDDPIIFIIIGFLELTDYSREEIPGPIGRFIQGPETDSATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep037_0_20.npz
+[2026-08-19 12:12:33,083] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 28:T>I
+[2026-08-19 12:14:33,079] [INFO] [train_post.py:707] 存活突变体: MCCCFVIKKKRLPDDPIIFIIIGFLELIDYSREEIPGPIGRFIQGPETDQATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep037_1_20.npz
+[2026-08-19 12:14:33,586] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 12:14:33,689] [INFO] [train_post.py:1108] 新亲本结构已重建: MCCCFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 12:14:33,819] [INFO] [pseudo_labels.py:75] 伪标签回流: 107 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 856 条）
+[2026-08-19 12:18:53,396] [WARNING] [train_post.py:1035] [ep 38] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 329.64952725172043, 0.0)
+[2026-08-19 12:20:22,960] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 12:20:23,904] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 28:T>I
+[2026-08-19 12:22:55,889] [INFO] [train_post.py:707] 存活突变体: MCCCFVIKKKRLPDDPIIFIIIGFLELIDYSREEIPGPIGRFIQGPETDSATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC (steps=20, Q=0.88, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep038_0_20.npz
+[2026-08-19 12:22:56,791] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 44:Q>S
+[2026-08-19 12:25:17,363] [INFO] [train_post.py:707] 存活突变体: MCCCFVIKKKRLPDDPIIFIIIGFLELTDYSREEIPGPIGRFISGPETDSATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC (steps=20, Q=0.88, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep038_1_20.npz
+[2026-08-19 12:25:18,281] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 28:T>I
+[2026-08-19 12:27:38,593] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MCCCFVIKKKRLPDDPIIFIIIGFLELIDYSREEIPGPIGRFIQGPETDSATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC
+[2026-08-19 12:27:39,429] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 12:27:39,578] [INFO] [train_post.py:1108] 新亲本结构已重建: MCCCFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 12:27:39,715] [INFO] [pseudo_labels.py:75] 伪标签回流: 109 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 872 条）
+[2026-08-19 12:32:07,363] [WARNING] [train_post.py:1035] [ep 39] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 285.28811663389206, 0.0)
+[2026-08-19 12:33:33,742] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 12:33:34,650] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 44:Q>S;51:A>S;52:T>S
+[2026-08-19 12:35:57,649] [INFO] [train_post.py:707] 存活突变体: MCCCFVIKKKRLPDDPIIFIIIGFLELIDYSREEIPGPIGRFISGPETDSSSVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC (steps=20, Q=0.88, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep039_0_20.npz
+[2026-08-19 12:35:58,574] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 27:L>I
+[2026-08-19 12:38:15,381] [INFO] [train_post.py:707] 存活突变体: MCCCFVIKKKRLPDDPIIFIIIGFLEIIDYSREEIPGPIGRFIQGPETDSATVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep039_1_20.npz
+[2026-08-19 12:38:16,184] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 52:T>S
+[2026-08-19 12:40:25,284] [INFO] [train_post.py:707] 存活突变体: MCCCFVIKKKRLPDDPIIFIIIGFLELIDYSREEIPGPIGRFIQGPETDSASVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_7qf3_ep039_2_20.npz
+[2026-08-19 12:40:26,094] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 52:T>S
+[2026-08-19 12:42:28,690] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: MCCCFVIKKKRLPDDPIIFIIIGFLELIDYSREEIPGPIGRFIQGPETDSASVQKICCCIRRRREITKKLINYCCSGKKFWCLLHLQPCCDQKGELQYFIGCQLDGEFIPNCCCGC
+[2026-08-19 12:42:29,198] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 12:42:29,306] [INFO] [train_post.py:1108] 新亲本结构已重建: MCCCFVIKKKRLPDDPIIFI... (n_res=116)
+[2026-08-19 12:42:29,433] [INFO] [pseudo_labels.py:75] 伪标签回流: 112 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 896 条）
+[2026-08-19 12:42:29,881] [INFO] [train_post.py:1223] [ep 39] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-19 12:43:33,878] [INFO] [train_post.py:1282] 数据管线初始结构: KVFGRCELAAAMKRHGLDNYRGYSLGNWVC... n_res=129
+[2026-08-19 12:43:33,910] [INFO] [train_post.py:804] [自检] reward归一化: True | reward±10clip: True | clampA+B: True | place_sidechain: True | pred_ca默认: True
+[2026-08-19 12:43:33,911] [INFO] [train_post.py:805] [自检] sac防护: u_hist归一化: True | 输入清洗: True | y/q clip: True | q clip: True | y兜底: True | NaN梯度置零: True
+[2026-08-19 12:46:01,167] [INFO] [train_post.py:837] 快筛通过: U=-765641.6 kcal/mol，进入双路探索
+[2026-08-19 12:46:05,929] [INFO] [train_post.py:67] 已加载 Pre-train 权重: ../data/data_efficiency/n10/checkpoints/best_weights.weights.h5
+[2026-08-19 12:48:40,734] [INFO] [train_post.py:909] [anchor] m5 基线: 0.144
+[2026-08-19 12:56:24,618] [WARNING] [train_post.py:1035] [ep 0] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 299.6043337583542, 0.0)
+[2026-08-19 12:57:47,910] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 12:57:48,867] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 103:N>L
+[2026-08-19 12:59:43,211] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep000_0_20.npz
+[2026-08-19 12:59:44,246] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 95:A>L;96:K>L
+[2026-08-19 13:01:43,925] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCLLKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep000_1_20.npz
+[2026-08-19 13:01:44,969] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 83:L>C;84:L>C
+[2026-08-19 13:03:43,354] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSACCSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep000_2_20.npz
+[2026-08-19 13:03:44,364] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 95:A>C
+[2026-08-19 13:05:40,500] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCCKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep000_3_20.npz
+[2026-08-19 13:05:41,549] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 73:R>I
+[2026-08-19 13:07:45,051] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSINLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep000_4_20.npz
+[2026-08-19 13:07:45,911] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 13:07:45,940] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 13:07:46,141] [INFO] [pseudo_labels.py:75] 伪标签回流: 117 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 936 条）
+[2026-08-19 13:07:46,146] [INFO] [train_post.py:1178] [ep 0] alpha=1.000 buffer=40 | wt=KVFGRCELAAAMKRHGLDNY | 1300s
+[2026-08-19 13:07:49,435] [INFO] [train_post.py:1223] [ep 0] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-19 13:15:54,930] [WARNING] [train_post.py:1035] [ep 1] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 304.6514177918434, 0.0)
+[2026-08-19 13:17:11,125] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 13:17:12,087] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 95:A>L;96:K>L
+[2026-08-19 13:19:07,991] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCLLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep001_0_20.npz
+[2026-08-19 13:19:08,747] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 72:S>I
+[2026-08-19 13:20:54,223] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGIRNLCNIPCSALLSSDITASVNCAKKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep001_1_20.npz
+[2026-08-19 13:20:54,920] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 93:N>C;95:A>C
+[2026-08-19 13:22:36,902] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVCCCKKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep001_2_20.npz
+[2026-08-19 13:22:37,589] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 96:K>L;97:K>L
+[2026-08-19 13:24:22,312] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCALLIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep001_3_20.npz
+[2026-08-19 13:24:22,897] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 13:24:22,928] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 13:24:23,261] [INFO] [pseudo_labels.py:75] 伪标签回流: 121 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 968 条）
+[2026-08-19 13:31:40,133] [WARNING] [train_post.py:1035] [ep 2] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 301.2181134521961, 0.0)
+[2026-08-19 13:32:49,771] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 13:32:50,462] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 93:N>C;95:L>C
+[2026-08-19 13:34:30,783] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep002_0_20.npz
+[2026-08-19 13:34:31,470] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 73:R>I;74:N>I
+[2026-08-19 13:36:46,138] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSIILCNIPCSALLSSDITASVNCLLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep002_1_20.npz
+[2026-08-19 13:36:46,851] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 73:R>I;74:N>I
+[2026-08-19 13:38:49,206] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSIILCNIPCSALLSSDITASVNCLLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-19 13:38:50,219] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 96:L>C
+[2026-08-19 13:40:48,560] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCLCKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep002_2_20.npz
+[2026-08-19 13:40:49,596] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 82:A>C;84:L>C
+[2026-08-19 13:42:47,726] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSCLCSSDITASVNCLLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep002_3_20.npz
+[2026-08-19 13:42:48,623] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 13:42:48,664] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 13:42:48,825] [INFO] [pseudo_labels.py:75] 伪标签回流: 125 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1000 条）
+[2026-08-19 13:51:09,484] [WARNING] [train_post.py:1035] [ep 3] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 304.4834572970867, 0.0)
+[2026-08-19 13:52:35,919] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 13:52:36,937] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 82:A>C;83:L>C
+[2026-08-19 13:54:35,781] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep003_0_20.npz
+[2026-08-19 13:54:36,732] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 74:N>I;75:L>I
+[2026-08-19 13:56:36,220] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRIICNIPCSALLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep003_1_20.npz
+[2026-08-19 13:56:37,261] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 72:S>I;73:R>I;74:N>I
+[2026-08-19 13:58:46,405] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGIIILCNIPCSALLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep003_2_20.npz
+[2026-08-19 13:58:47,321] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 29:V>C
+[2026-08-19 14:00:37,458] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWCCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep003_3_20.npz
+[2026-08-19 14:00:38,389] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 82:A>C;83:L>C
+[2026-08-19 14:02:32,624] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-19 14:02:33,323] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 73:R>I;74:N>I
+[2026-08-19 14:04:24,602] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSIILCNIPCSALLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep003_4_20.npz
+[2026-08-19 14:04:25,160] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 14:04:25,192] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 14:04:25,312] [INFO] [pseudo_labels.py:75] 伪标签回流: 130 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1040 条）
+[2026-08-19 14:11:37,823] [WARNING] [train_post.py:1035] [ep 4] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 297.9372953772545, 0.0)
+[2026-08-19 14:12:51,781] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 14:12:52,817] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 81:S>C
+[2026-08-19 14:14:45,413] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep004_0_20.npz
+[2026-08-19 14:14:46,401] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 73:R>I;74:N>I;75:L>I
+[2026-08-19 14:16:57,163] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSIIICNIPCSCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep004_1_20.npz
+[2026-08-19 14:16:58,147] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 73:R>I
+[2026-08-19 14:19:00,795] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSINLCNIPCSCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep004_2_20.npz
+[2026-08-19 14:19:01,736] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 72:S>W;73:R>W;124:I>W
+[2026-08-19 14:21:10,391] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGWWNLCNIPCSCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWWRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep004_3_20.npz
+[2026-08-19 14:21:11,178] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 14:21:11,220] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 14:21:11,423] [INFO] [pseudo_labels.py:75] 伪标签回流: 134 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1072 条）
+[2026-08-19 14:30:09,354] [WARNING] [train_post.py:1035] [ep 5] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.75583279132843, 297.05033208429813, 0.0)
+[2026-08-19 14:31:33,286] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 14:31:34,352] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 72:S>W;124:I>P
+[2026-08-19 14:33:43,700] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWPRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep005_0_20.npz
+[2026-08-19 14:33:44,583] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 73:R>I;74:N>I;75:L>I
+[2026-08-19 14:35:41,903] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSIIICNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep005_1_20.npz
+[2026-08-19 14:35:42,810] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 72:S>I;73:R>I;74:N>I
+[2026-08-19 14:37:39,174] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGIIILCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep005_2_20.npz
+[2026-08-19 14:37:39,846] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 77:N>C
+[2026-08-19 14:39:16,223] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCCIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep005_3_20.npz
+[2026-08-19 14:39:16,911] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 121:Q>N
+[2026-08-19 14:40:56,536] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWIRGCRL (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep005_4_20.npz
+[2026-08-19 14:40:57,210] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 72:S>W;74:N>W
+[2026-08-19 14:42:46,784] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGWRWLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep005_5_20.npz
+[2026-08-19 14:42:47,324] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 14:42:47,376] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 14:42:47,874] [INFO] [pseudo_labels.py:75] 伪标签回流: 140 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1120 条）
+[2026-08-19 14:50:14,356] [WARNING] [train_post.py:1035] [ep 6] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.98917031288147, 301.86195816099644, 0.0)
+[2026-08-19 14:51:45,372] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 14:51:46,352] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>L;51:T>P;121:Q>N
+[2026-08-19 14:53:58,486] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep006_0_20.npz
+[2026-08-19 14:53:59,479] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 73:R>I;74:N>I
+[2026-08-19 14:56:08,782] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGWIILCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWPRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep006_1_20.npz
+[2026-08-19 14:56:09,767] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 73:R>I
+[2026-08-19 14:58:19,993] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGWINLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWPRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep006_2_20.npz
+[2026-08-19 14:58:21,098] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 73:R>W
+[2026-08-19 15:00:29,489] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGWWNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWPRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep006_3_20.npz
+[2026-08-19 15:00:30,484] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 32:A>P;119:D>P
+[2026-08-19 15:02:36,308] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAPKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTPVQAWPRGCRL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep006_4_20.npz
+[2026-08-19 15:02:37,329] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 1:K>L;45:R>T;46:N>K
+[2026-08-19 15:04:47,724] [INFO] [train_post.py:707] 存活突变体: LVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNTKTDGSTDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWPRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep006_5_20.npz
+[2026-08-19 15:04:48,750] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 2:V>C
+[2026-08-19 15:06:51,335] [INFO] [train_post.py:707] 存活突变体: KCFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVQAWPRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep006_6_20.npz
+[2026-08-19 15:06:52,157] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 15:06:52,238] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 15:06:52,445] [INFO] [pseudo_labels.py:75] 伪标签回流: 147 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1176 条）
+[2026-08-19 15:14:53,949] [WARNING] [train_post.py:1035] [ep 7] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 312.950606405735, 0.0)
+[2026-08-19 15:16:04,010] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 15:16:04,689] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 1:K>C;15:H>C
+[2026-08-19 15:17:53,924] [INFO] [train_post.py:707] 存活突变体: CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep007_0_20.npz
+[2026-08-19 15:17:54,634] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 1:K>L;45:R>K
+[2026-08-19 15:19:41,033] [INFO] [train_post.py:707] 存活突变体: LVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNKNTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep007_1_20.npz
+[2026-08-19 15:19:41,578] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 15:19:41,646] [INFO] [train_post.py:1108] 新亲本结构已重建: CVFGRCELAAAMKRCGLDNY... (n_res=129)
+[2026-08-19 15:19:42,314] [INFO] [pseudo_labels.py:75] 伪标签回流: 149 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1192 条）
+[2026-08-19 15:27:00,894] [WARNING] [train_post.py:1035] [ep 8] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 315.00269335508347, 0.0)
+[2026-08-19 15:28:23,537] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 15:28:24,539] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 45:R>K;46:N>K
+[2026-08-19 15:30:24,003] [INFO] [train_post.py:707] 存活突变体: CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep008_0_20.npz
+[2026-08-19 15:30:24,983] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 2:V>C;96:L>C
+[2026-08-19 15:32:28,990] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 235/400 (T=269K, U=1.007e8)
+[2026-08-19 15:32:30,008] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 73:R>I;74:N>I;75:L>I
+[2026-08-19 15:34:40,380] [INFO] [train_post.py:707] 存活突变体: CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep008_1_20.npz
+[2026-08-19 15:34:41,366] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 10:A>L;11:A>L;12:M>L
+[2026-08-19 15:36:49,948] [INFO] [train_post.py:707] 存活突变体: CVFGRCELALLLKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep008_2_20.npz
+[2026-08-19 15:36:50,935] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 2:V>C
+[2026-08-19 15:38:52,444] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep008_3_20.npz
+[2026-08-19 15:38:53,284] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 15:38:53,392] [INFO] [train_post.py:1108] 新亲本结构已重建: CVFGRCELAAAMKRCGLDNY... (n_res=129)
+[2026-08-19 15:38:54,535] [INFO] [pseudo_labels.py:75] 伪标签回流: 153 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1224 条）
+[2026-08-19 15:47:20,984] [WARNING] [train_post.py:1035] [ep 9] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.827512264251709, 313.51451447606087, 0.0)
+[2026-08-19 15:48:38,822] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 15:48:39,713] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 73:R>I;74:N>I;75:L>I
+[2026-08-19 15:50:41,466] [INFO] [train_post.py:707] 存活突变体: CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep009_0_20.npz
+[2026-08-19 15:50:42,360] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 2:V>C
+[2026-08-19 15:52:33,601] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep009_1_20.npz
+[2026-08-19 15:52:34,281] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 10:A>L;12:M>L
+[2026-08-19 15:54:18,756] [INFO] [train_post.py:707] 存活突变体: CVFGRCELALALKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep009_2_20.npz
+[2026-08-19 15:54:19,502] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 36:S>N;124:P>N
+[2026-08-19 15:56:07,493] [INFO] [train_post.py:707] 存活突变体: CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFENNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWRNLCNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWNRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep009_3_20.npz
+[2026-08-19 15:56:08,166] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 78:I>F;79:P>F;129:L>F
+[2026-08-19 15:58:00,309] [INFO] [train_post.py:707] 存活突变体: CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWRNLCNFFCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRF (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep009_4_20.npz
+[2026-08-19 15:58:00,864] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 15:58:00,948] [INFO] [train_post.py:1108] 新亲本结构已重建: CVFGRCELAAAMKRCGLDNY... (n_res=129)
+[2026-08-19 15:58:01,556] [INFO] [pseudo_labels.py:75] 伪标签回流: 158 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1264 条）
+[2026-08-19 16:05:45,485] [WARNING] [train_post.py:1035] [ep 10] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.0, 325.2280354499817, 0.0)
+[2026-08-19 16:07:09,113] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 16:07:10,087] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 2:V>C;96:L>C
+[2026-08-19 16:09:16,743] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep010_0_20.npz
+[2026-08-19 16:09:17,748] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 124:P>N
+[2026-08-19 16:11:08,064] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 193/400 (T=245K, U=1.059e8)
+[2026-08-19 16:11:09,090] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 129:L>F
+[2026-08-19 16:13:10,868] [INFO] [train_post.py:707] 存活突变体: CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRF (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep010_1_20.npz
+[2026-08-19 16:13:11,845] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 58:I>P
+[2026-08-19 16:15:46,761] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 291/400 (T=319K, U=1.061e8)
+[2026-08-19 16:15:47,790] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 39:N>H;57:Q>H
+[2026-08-19 16:18:07,798] [INFO] [train_post.py:707] 存活突变体: CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGILHINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCLKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep010_2_20.npz
+[2026-08-19 16:18:08,804] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 96:L>C
+[2026-08-19 16:20:08,184] [INFO] [train_post.py:707] 存活突变体: CVFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep010_3_20.npz
+[2026-08-19 16:20:09,053] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 16:20:09,175] [INFO] [train_post.py:1108] 新亲本结构已重建: CCFGRCELAAAMKRCGLDNY... (n_res=129)
+[2026-08-19 16:20:09,441] [INFO] [pseudo_labels.py:75] 伪标签回流: 162 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1296 条）
+[2026-08-19 16:20:10,067] [INFO] [train_post.py:1175] [ep 10] Head D 置信度 loss: 0.3524
+[2026-08-19 16:20:10,068] [INFO] [train_post.py:1178] [ep 10] alpha=0.998 buffer=440 | wt=CCFGRCELAAAMKRCGLDNY | 12844s
+[2026-08-19 16:20:11,267] [INFO] [train_post.py:1223] [ep 10] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-19 16:28:22,195] [WARNING] [train_post.py:1035] [ep 11] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (5.503117322921753, 273.2831879854202, 0.0)
+[2026-08-19 16:29:31,320] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 16:29:32,017] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 57:Q>H
+[2026-08-19 16:31:26,878] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILHINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep011_0_20.npz
+[2026-08-19 16:31:27,567] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 99:V>C
+[2026-08-19 16:33:17,042] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKICSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep011_1_20.npz
+[2026-08-19 16:33:17,744] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 99:V>C
+[2026-08-19 16:35:08,744] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKICSDGLGMNAWVAWRNRCKGTDVNAWPRGCRL
+[2026-08-19 16:35:09,445] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 129:L>F
+[2026-08-19 16:36:42,529] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 212/400 (T=223K, U=1.044e8)
+[2026-08-19 16:36:43,221] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 103:L>C;106:N>C;107:A>C
+[2026-08-19 16:38:38,247] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILQINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGCGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.81, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep011_2_20.npz
+[2026-08-19 16:38:38,956] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 101:D>C
+[2026-08-19 16:39:38,897] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 102/400 (T=159K, U=1.242e8)
+[2026-08-19 16:39:39,494] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 16:39:39,584] [INFO] [train_post.py:1108] 新亲本结构已重建: CCFGRCELAAAMKRCGLDNY... (n_res=129)
+[2026-08-19 16:39:42,327] [INFO] [pseudo_labels.py:75] 伪标签回流: 165 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1320 条）
+[2026-08-19 16:46:58,711] [WARNING] [train_post.py:1035] [ep 12] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 318.1602518558502, 0.0)
+[2026-08-19 16:48:18,992] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 16:48:20,036] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 106:N>C;107:A>C
+[2026-08-19 16:50:24,711] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILHINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.81, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep012_0_20.npz
+[2026-08-19 16:50:25,740] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 106:N>C;107:A>C
+[2026-08-19 16:52:48,903] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 268/400 (T=296K, U=1.015e8)
+[2026-08-19 16:52:49,775] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 16:52:49,914] [INFO] [train_post.py:1108] 新亲本结构已重建: CCFGRCELAAAMKRCGLDNY... (n_res=129)
+[2026-08-19 16:52:51,008] [INFO] [pseudo_labels.py:75] 伪标签回流: 166 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1328 条）
+[2026-08-19 17:01:20,450] [WARNING] [train_post.py:1035] [ep 13] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 330.0, 0.0)
+[2026-08-19 17:02:44,450] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 17:02:45,503] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 39:N>H;58:I>H
+[2026-08-19 17:05:00,865] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGILHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep013_0_20.npz
+[2026-08-19 17:05:01,917] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 98:I>C
+[2026-08-19 17:07:09,543] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGILHINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKCVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep013_1_20.npz
+[2026-08-19 17:07:10,561] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 56:L>H
+[2026-08-19 17:09:23,009] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFNTQATNKKTDGLPDYGIHHINSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep013_2_20.npz
+[2026-08-19 17:09:23,908] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 101:D>C
+[2026-08-19 17:10:37,175] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 90/400 (T=169K, U=1.174e8)
+[2026-08-19 17:10:37,176] [WARNING] [train_post.py:518] [restart-gate] 新增爆炸黑名单 1 项 (equilibrate 爆炸, bucket=neutral): ['101:D>C']
+[2026-08-19 17:10:38,076] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 9:A>H;124:P>H
+[2026-08-19 17:13:13,598] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 339/400 (T=330K, U=1.158e8)
+[2026-08-19 17:13:14,174] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 17:13:14,288] [INFO] [train_post.py:1108] 新亲本结构已重建: CCFGRCELAAAMKRCGLDNY... (n_res=129)
+[2026-08-19 17:13:14,471] [INFO] [pseudo_labels.py:75] 伪标签回流: 169 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1352 条）
+[2026-08-19 17:20:42,090] [WARNING] [train_post.py:1035] [ep 14] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 304.255087852478, 0.0)
+[2026-08-19 17:22:07,006] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 17:22:08,019] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 56:L>H
+[2026-08-19 17:24:25,387] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep014_0_20.npz
+[2026-08-19 17:24:26,385] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 98:I>C
+[2026-08-19 17:26:31,748] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGILHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKCVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep014_1_20.npz
+[2026-08-19 17:26:32,745] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 40:T>H
+[2026-08-19 17:28:49,475] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHHQATNKKTDGLPDYGILHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep014_2_20.npz
+[2026-08-19 17:28:50,498] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 97:K>C;98:I>C;103:L>C
+[2026-08-19 17:31:03,261] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGILHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCVSDGCGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep014_3_20.npz
+[2026-08-19 17:31:04,125] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 17:31:04,282] [INFO] [train_post.py:1108] 新亲本结构已重建: CCFGRCELAAAMKRCGLDNY... (n_res=129)
+[2026-08-19 17:31:05,967] [INFO] [pseudo_labels.py:75] 伪标签回流: 173 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1384 条）
+[2026-08-19 17:39:35,330] [WARNING] [train_post.py:1035] [ep 15] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 306.9971559047699, 0.0)
+[2026-08-19 17:40:58,016] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 17:40:58,900] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 100:S>C
+[2026-08-19 17:42:47,007] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVCDGLGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.81, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep015_0_20.npz
+[2026-08-19 17:42:47,910] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 40:T>H
+[2026-08-19 17:44:50,168] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHHQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep015_1_20.npz
+[2026-08-19 17:44:50,858] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 97:K>C;98:I>C;99:V>C
+[2026-08-19 17:46:37,882] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep015_2_20.npz
+[2026-08-19 17:46:38,575] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 99:V>C
+[2026-08-19 17:48:22,209] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKICSDGLGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.80, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep015_3_20.npz
+[2026-08-19 17:48:22,775] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 17:48:22,889] [INFO] [train_post.py:1108] 新亲本结构已重建: CCFGRCELAAAMKRCGLDNY... (n_res=129)
+[2026-08-19 17:48:25,422] [INFO] [pseudo_labels.py:75] 伪标签回流: 177 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1416 条）
+[2026-08-19 17:56:26,183] [WARNING] [train_post.py:1035] [ep 16] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 315.3642575740814, 0.0)
+[2026-08-19 17:57:49,881] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 17:57:50,867] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 97:K>C;98:I>C;99:V>C
+[2026-08-19 17:59:51,268] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCDGLGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep016_0_20.npz
+[2026-08-19 17:59:52,256] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 99:V>C
+[2026-08-19 18:02:02,474] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKICCDGLGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep016_1_20.npz
+[2026-08-19 18:02:03,487] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 99:V>C
+[2026-08-19 18:04:10,388] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKICCDGLGMCCWVAWRNRCKGTDVNAWPRGCRL
+[2026-08-19 18:04:11,407] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 40:T>H;41:Q>H
+[2026-08-19 18:06:17,007] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 207/400 (T=249K, U=1.041e8)
+[2026-08-19 18:06:18,030] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 98:I>C
+[2026-08-19 18:08:21,029] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKCVCDGLGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep016_2_20.npz
+[2026-08-19 18:08:22,215] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 48:D>L
+[2026-08-19 18:10:28,435] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMKRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTLGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCKIVCDGLGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep016_3_20.npz
+[2026-08-19 18:10:29,345] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 18:10:29,521] [INFO] [train_post.py:1108] 新亲本结构已重建: CCFGRCELAAAMKRCGLDNY... (n_res=129)
+[2026-08-19 18:10:29,770] [INFO] [pseudo_labels.py:75] 伪标签回流: 181 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1448 条）
+[2026-08-19 18:18:31,483] [WARNING] [train_post.py:1035] [ep 17] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 306.2472620010376, 0.0)
+[2026-08-19 18:19:41,106] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 18:19:41,781] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 13:K>C
+[2026-08-19 18:21:23,510] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMCRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCDGLGMCCWVAWRNRCKGTDVNAWPRGCRL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep017_0_20.npz
+[2026-08-19 18:21:24,060] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 18:21:24,184] [INFO] [train_post.py:1108] 新亲本结构已重建: CCFGRCELAAAMCRCGLDNY... (n_res=129)
+[2026-08-19 18:21:24,399] [INFO] [pseudo_labels.py:75] 伪标签回流: 182 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1456 条）
+[2026-08-19 18:28:05,589] [WARNING] [train_post.py:1035] [ep 18] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 270.7020637989044, 0.0)
+[2026-08-19 18:29:27,585] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 18:29:28,510] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 14:R>C
+[2026-08-19 18:31:10,007] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 196/400 (T=212K, U=1.205e8)
+[2026-08-19 18:31:10,994] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 124:P>N;125:R>N
+[2026-08-19 18:33:14,740] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMCRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCDGLGMCCWVAWRNRCKGTDVNAWNNGCRL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep018_0_20.npz
+[2026-08-19 18:33:15,668] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 14:R>H;129:L>N
+[2026-08-19 18:35:18,401] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMCHCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCDGLGMCCWVAWRNRCKGTDVNAWPRGCRN (steps=20, Q=0.81, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep018_1_20.npz
+[2026-08-19 18:35:19,254] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 18:35:19,433] [INFO] [train_post.py:1108] 新亲本结构已重建: CCFGRCELAAAMCRCGLDNY... (n_res=129)
+[2026-08-19 18:35:19,652] [INFO] [pseudo_labels.py:75] 伪标签回流: 184 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1472 条）
+[2026-08-19 18:43:40,138] [WARNING] [train_post.py:1035] [ep 19] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.706008553504944, 330.0, 0.0)
+[2026-08-19 18:45:04,674] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 18:45:05,676] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 101:D>C
+[2026-08-19 18:47:13,088] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMCRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCCGLGMCCWVAWRNRCKGTDVNAWNNGCRL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep019_0_20.npz
+[2026-08-19 18:47:13,948] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 101:D>C
+[2026-08-19 18:49:14,158] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: CCFGRCELAAAMCRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCCGLGMCCWVAWRNRCKGTDVNAWNNGCRL
+[2026-08-19 18:49:14,912] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 18:49:15,070] [INFO] [train_post.py:1108] 新亲本结构已重建: CCFGRCELAAAMCRCGLDNY... (n_res=129)
+[2026-08-19 18:49:15,320] [INFO] [pseudo_labels.py:75] 伪标签回流: 185 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1480 条）
+[2026-08-19 18:56:40,974] [WARNING] [train_post.py:1035] [ep 20] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.0, 330.0, 0.0)
+[2026-08-19 18:58:03,183] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 18:58:04,161] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 129:L>N
+[2026-08-19 19:00:01,871] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMCRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCCGLGMCCWVAWRNRCKGTDVNAWNNGCRN (steps=20, Q=0.79, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep020_0_20.npz
+[2026-08-19 19:00:02,974] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 14:R>N
+[2026-08-19 19:01:32,652] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 175/400 (T=235K, U=1.122e8)
+[2026-08-19 19:01:33,508] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 19:01:33,693] [INFO] [train_post.py:1108] 新亲本结构已重建: CCFGRCELAAAMCRCGLDNY... (n_res=129)
+[2026-08-19 19:01:33,960] [INFO] [pseudo_labels.py:75] 伪标签回流: 186 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1488 条）
+[2026-08-19 19:01:33,994] [INFO] [train_post.py:1175] [ep 20] Head D 置信度 loss: 0.3561
+[2026-08-19 19:01:33,995] [INFO] [train_post.py:1178] [ep 20] alpha=0.994 buffer=840 | wt=CCFGRCELAAAMCRCGLDNY | 22528s
+[2026-08-19 19:01:35,238] [INFO] [train_post.py:1223] [ep 20] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-19 19:10:02,184] [WARNING] [train_post.py:1035] [ep 21] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.359048962593079, 330.0, 0.0)
+[2026-08-19 19:11:25,469] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 19:11:26,476] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 128:R>N
+[2026-08-19 19:13:23,270] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMCRCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCCGLGMCCWVAWRNRCKGTDVNAWNNGCNN (steps=20, Q=0.81, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep021_0_20.npz
+[2026-08-19 19:13:24,050] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 19:13:24,249] [INFO] [train_post.py:1108] 新亲本结构已重建: CCFGRCELAAAMCRCGLDNY... (n_res=129)
+[2026-08-19 19:13:24,487] [INFO] [pseudo_labels.py:75] 伪标签回流: 187 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1496 条）
+[2026-08-19 19:21:11,378] [WARNING] [train_post.py:1035] [ep 22] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 322.6475476026535, 0.0)
+[2026-08-19 19:22:18,325] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 19:22:19,038] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 122:A>N
+[2026-08-19 19:23:35,942] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 175/400 (T=230K, U=1.104e8)
+[2026-08-19 19:24:48,492] [WARNING] [train_post.py:1035] [ep 23] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 315.413250207901, 0.0)
+[2026-08-19 19:25:54,737] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 19:25:55,413] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 14:R>N
+[2026-08-19 19:27:35,283] [INFO] [train_post.py:707] 存活突变体: CCFGRCELAAAMCNCGLDNYRGYSLGNWVCAAKFESNFHTQATNKKTDGLPDYGIHHHNSRWWCNDGRTPGWIIICNIPCCCCLSSDITASVCCCCCCCCCGLGMCCWVAWRNRCKGTDVNAWNNGCNN (steps=20, Q=0.80, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_6qqe_ep023_0_20.npz
+[2026-08-19 19:27:35,849] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 19:27:35,991] [INFO] [train_post.py:1108] 新亲本结构已重建: CCFGRCELAAAMCNCGLDNY... (n_res=129)
+[2026-08-19 19:27:36,187] [INFO] [pseudo_labels.py:75] 伪标签回流: 188 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1504 条）
+[2026-08-19 19:35:26,080] [WARNING] [train_post.py:1035] [ep 24] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.243317365646362, 330.0, 0.0)
+[2026-08-19 19:36:45,442] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 19:49:49,788] [INFO] [train_post.py:1175] [ep 30] Head D 置信度 loss: 0.3466
+[2026-08-19 19:49:49,789] [INFO] [train_post.py:1178] [ep 30] alpha=0.991 buffer=1220 | wt=CCFGRCELAAAMCNCGLDNY | 25424s
+[2026-08-19 19:49:50,831] [INFO] [train_post.py:1223] [ep 30] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-19 19:56:05,502] [WARNING] [train_post.py:1035] [ep 33] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+[2026-08-19 19:57:10,865] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 20:06:54,675] [INFO] [train_post.py:1223] [ep 39] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-19 20:09:14,622] [INFO] [train_post.py:1282] 数据管线初始结构: KVFGRCELAAAMKRHGLDNYRGYSLGNWVC... n_res=129
+[2026-08-19 20:09:14,689] [INFO] [train_post.py:804] [自检] reward归一化: True | reward±10clip: True | clampA+B: True | place_sidechain: True | pred_ca默认: True
+[2026-08-19 20:09:14,690] [INFO] [train_post.py:805] [自检] sac防护: u_hist归一化: True | 输入清洗: True | y/q clip: True | q clip: True | y兜底: True | NaN梯度置零: True
+[2026-08-19 20:12:07,863] [INFO] [train_post.py:837] 快筛通过: U=-789508.1 kcal/mol，进入双路探索
+[2026-08-19 20:12:15,944] [INFO] [train_post.py:67] 已加载 Pre-train 权重: ../data/data_efficiency/n10/checkpoints/best_weights.weights.h5
+[2026-08-19 20:15:17,370] [INFO] [train_post.py:909] [anchor] m5 基线: 0.070
+[2026-08-19 20:19:32,271] [WARNING] [train_post.py:1035] [ep 0] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.982430934906006, 320.1379810869694, 0.0)
+[2026-08-19 20:20:54,953] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 20:20:55,948] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 93:N>E
+[2026-08-19 20:22:59,274] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVECAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep000_0_20.npz
+[2026-08-19 20:23:00,265] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 87:D>E
+[2026-08-19 20:25:02,639] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep000_1_20.npz
+[2026-08-19 20:25:03,680] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 92:V>E
+[2026-08-19 20:27:04,149] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASENCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep000_2_20.npz
+[2026-08-19 20:27:05,057] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 93:N>E
+[2026-08-19 20:28:53,520] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVECAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-19 20:28:54,206] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 86:S>E
+[2026-08-19 20:30:35,113] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSEDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep000_3_20.npz
+[2026-08-19 20:30:35,803] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 85:S>E;86:S>E;87:D>E
+[2026-08-19 20:32:23,015] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLEEEITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep000_4_20.npz
+[2026-08-19 20:32:23,685] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 93:N>E
+[2026-08-19 20:34:10,376] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVECAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-19 20:34:10,933] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 20:34:10,943] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 20:34:11,179] [INFO] [pseudo_labels.py:75] 伪标签回流: 193 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1544 条）
+[2026-08-19 20:34:11,182] [INFO] [train_post.py:1178] [ep 0] alpha=1.000 buffer=20 | wt=KVFGRCELAAAMKRHGLDNY | 1315s
+[2026-08-19 20:34:14,362] [INFO] [train_post.py:1223] [ep 0] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-19 20:41:01,422] [WARNING] [train_post.py:1035] [ep 1] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.031682848930359, 306.0598493218422, 0.0)
+[2026-08-19 20:42:23,565] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 20:42:24,595] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 103:N>C
+[2026-08-19 20:44:22,299] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep001_0_20.npz
+[2026-08-19 20:44:23,323] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 89:T>N
+[2026-08-19 20:46:32,874] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASVECAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep001_1_20.npz
+[2026-08-19 20:46:33,842] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 92:V>E
+[2026-08-19 20:49:16,811] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASEECAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep001_2_20.npz
+[2026-08-19 20:49:17,692] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 20:49:17,724] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 20:49:18,020] [INFO] [pseudo_labels.py:75] 伪标签回流: 196 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1568 条）
+[2026-08-19 20:57:45,151] [WARNING] [train_post.py:1035] [ep 2] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.317272029817104, 304.6075838506222, 0.0)
+[2026-08-19 20:59:03,249] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 20:59:04,179] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 89:T>N
+[2026-08-19 21:01:18,395] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep002_0_20.npz
+[2026-08-19 21:01:19,313] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 92:V>E
+[2026-08-19 21:03:15,065] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep002_1_20.npz
+[2026-08-19 21:03:16,080] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 7:E>D
+[2026-08-19 21:05:14,130] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep002_2_20.npz
+[2026-08-19 21:05:15,265] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 88:I>N
+[2026-08-19 21:07:20,785] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDNTASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep002_3_20.npz
+[2026-08-19 21:07:21,777] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 92:V>E
+[2026-08-19 21:09:34,079] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-19 21:09:34,947] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 21:09:34,986] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 21:09:35,261] [INFO] [pseudo_labels.py:75] 伪标签回流: 200 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1600 条）
+[2026-08-19 21:18:00,032] [WARNING] [train_post.py:1035] [ep 3] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (5.298776805400848, 309.43776324391365, 0.0)
+[2026-08-19 21:19:24,063] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 21:19:25,045] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 7:E>D
+[2026-08-19 21:21:26,651] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep003_0_20.npz
+[2026-08-19 21:21:27,669] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 92:V>E
+[2026-08-19 21:23:40,075] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep003_1_20.npz
+[2026-08-19 21:23:41,101] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 92:V>E
+[2026-08-19 21:26:17,661] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-19 21:26:18,589] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 5:R>W
+[2026-08-19 21:28:09,959] [INFO] [train_post.py:707] 存活突变体: KVFGWCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep003_2_20.npz
+[2026-08-19 21:28:10,645] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 87:D>E
+[2026-08-19 21:29:50,707] [INFO] [train_post.py:707] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEINASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep003_3_20.npz
+[2026-08-19 21:29:51,259] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 21:29:51,291] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCDLAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 21:29:51,481] [INFO] [pseudo_labels.py:75] 伪标签回流: 204 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1632 条）
+[2026-08-19 21:36:43,764] [WARNING] [train_post.py:1035] [ep 4] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 306.2249267101288, 0.0)
+[2026-08-19 21:38:05,977] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 21:38:06,984] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 92:V>E
+[2026-08-19 21:40:44,661] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep004_0_20.npz
+[2026-08-19 21:40:45,693] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 87:D>E
+[2026-08-19 21:42:45,518] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEINASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep004_1_20.npz
+[2026-08-19 21:42:46,544] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 5:R>W
+[2026-08-19 21:44:50,120] [INFO] [train_post.py:707] 存活突变体: KVFGWCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep004_2_20.npz
+[2026-08-19 21:44:51,145] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 92:V>E
+[2026-08-19 21:47:06,224] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-19 21:47:07,228] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 87:D>E;88:I>E
+[2026-08-19 21:49:22,516] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEENASVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep004_3_20.npz
+[2026-08-19 21:49:23,535] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 91:S>E
+[2026-08-19 21:51:38,282] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINAEVECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep004_4_20.npz
+[2026-08-19 21:51:39,147] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 21:51:39,207] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCDLAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 21:51:40,553] [INFO] [pseudo_labels.py:75] 伪标签回流: 209 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1672 条）
+[2026-08-19 21:59:41,784] [WARNING] [train_post.py:1035] [ep 5] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.75198408961296, 303.94312873482704, 0.0)
+[2026-08-19 22:00:50,854] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 22:00:51,556] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 87:D>E
+[2026-08-19 22:02:51,068] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEINASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep005_0_20.npz
+[2026-08-19 22:02:51,753] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 89:N>E
+[2026-08-19 22:04:58,617] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDIEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep005_1_20.npz
+[2026-08-19 22:04:59,610] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 5:R>E
+[2026-08-19 22:06:59,034] [INFO] [train_post.py:707] 存活突变体: KVFGECDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDINASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep005_2_20.npz
+[2026-08-19 22:07:00,058] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 87:D>E
+[2026-08-19 22:09:06,561] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEINASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-19 22:09:07,588] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 88:I>E
+[2026-08-19 22:11:25,152] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDENASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep005_3_20.npz
+[2026-08-19 22:11:26,014] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 22:11:26,080] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCDLAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 22:11:26,385] [INFO] [pseudo_labels.py:75] 伪标签回流: 213 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1704 条）
+[2026-08-19 22:20:04,554] [WARNING] [train_post.py:1035] [ep 6] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.84478747844696, 303.2963282763958, 0.0)
+[2026-08-19 22:21:37,791] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 22:21:38,784] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 89:N>E
+[2026-08-19 22:24:01,504] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEIEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep006_0_20.npz
+[2026-08-19 22:24:02,532] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 29:V>E
+[2026-08-19 22:26:10,211] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEINASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep006_1_20.npz
+[2026-08-19 22:26:11,281] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 88:I>N
+[2026-08-19 22:28:25,329] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep006_2_20.npz
+[2026-08-19 22:28:26,097] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 22:28:26,153] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCDLAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 22:28:26,402] [INFO] [pseudo_labels.py:75] 伪标签回流: 216 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1728 条）
+[2026-08-19 22:35:58,700] [WARNING] [train_post.py:1035] [ep 7] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (5.653551608324051, 310.59735494852066, 0.0)
+[2026-08-19 22:37:21,991] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 22:37:23,030] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 88:I>N
+[2026-08-19 22:39:50,640] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep007_0_20.npz
+[2026-08-19 22:39:51,636] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 29:V>E
+[2026-08-19 22:41:58,452] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEIEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep007_1_20.npz
+[2026-08-19 22:41:59,415] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 14:R>D
+[2026-08-19 22:44:00,089] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKDHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEIEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep007_2_20.npz
+[2026-08-19 22:44:01,065] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>D
+[2026-08-19 22:46:00,623] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYDGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSEIEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep007_3_20.npz
+[2026-08-19 22:46:01,486] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 22:46:01,554] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCDLAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 22:46:01,861] [INFO] [pseudo_labels.py:75] 伪标签回流: 220 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1760 条）
+[2026-08-19 22:54:39,359] [WARNING] [train_post.py:1035] [ep 8] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.767859101295471, 313.8765907883644, 0.0)
+[2026-08-19 22:56:03,824] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 22:56:04,873] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 89:E>N
+[2026-08-19 22:58:13,293] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep008_0_20.npz
+[2026-08-19 22:58:14,178] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 29:V>E
+[2026-08-19 23:00:11,603] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep008_1_20.npz
+[2026-08-19 23:00:12,500] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 9:A>N
+[2026-08-19 23:02:05,136] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLNAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep008_2_20.npz
+[2026-08-19 23:02:05,825] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 46:N>C
+[2026-08-19 23:03:51,538] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRCTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep008_3_20.npz
+[2026-08-19 23:03:52,223] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 89:E>N
+[2026-08-19 23:05:45,717] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-19 23:05:46,402] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 45:R>S
+[2026-08-19 23:07:43,001] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENEASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep008_4_20.npz
+[2026-08-19 23:07:43,816] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 23:07:43,867] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCDLAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 23:07:45,814] [INFO] [pseudo_labels.py:75] 伪标签回流: 225 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1800 条）
+[2026-08-19 23:16:16,766] [WARNING] [train_post.py:1035] [ep 9] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.466930508613586, 315.6675659418106, 0.0)
+[2026-08-19 23:17:38,730] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 23:17:39,682] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 45:R>S
+[2026-08-19 23:19:49,083] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep009_0_20.npz
+[2026-08-19 23:19:50,089] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 29:V>E
+[2026-08-19 23:21:57,256] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep009_1_20.npz
+[2026-08-19 23:21:58,289] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 9:A>N
+[2026-08-19 23:24:00,413] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLNAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep009_2_20.npz
+[2026-08-19 23:24:01,370] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 8:L>N
+[2026-08-19 23:26:08,034] [INFO] [train_post.py:707] 存活突变体: KVFGRCDNAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep009_3_20.npz
+[2026-08-19 23:26:09,070] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 106:N>C
+[2026-08-19 23:28:08,529] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMCAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep009_4_20.npz
+[2026-08-19 23:28:09,540] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:T>E
+[2026-08-19 23:30:05,884] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQAENRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep009_5_20.npz
+[2026-08-19 23:30:06,754] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 2:V>D
+[2026-08-19 23:32:03,254] [INFO] [train_post.py:707] 存活突变体: KDFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep009_6_20.npz
+[2026-08-19 23:32:03,978] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 23:32:04,034] [INFO] [train_post.py:1108] 新亲本结构已重建: KVFGRCDLAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 23:32:04,334] [INFO] [pseudo_labels.py:75] 伪标签回流: 232 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1856 条）
+[2026-08-19 23:40:11,773] [WARNING] [train_post.py:1035] [ep 10] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 309.9235419034958, 0.0)
+[2026-08-19 23:41:35,639] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 23:41:36,623] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 2:V>D
+[2026-08-19 23:43:38,372] [INFO] [train_post.py:707] 存活突变体: KDFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep010_0_20.npz
+[2026-08-19 23:43:39,347] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 8:L>N
+[2026-08-19 23:45:44,988] [INFO] [train_post.py:707] 存活突变体: KVFGRCDNAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep010_1_20.npz
+[2026-08-19 23:45:45,990] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 29:V>N
+[2026-08-19 23:47:48,567] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWNCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep010_2_20.npz
+[2026-08-19 23:47:49,533] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 29:V>E
+[2026-08-19 23:49:54,613] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep010_3_20.npz
+[2026-08-19 23:49:55,612] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 9:A>N
+[2026-08-19 23:52:00,545] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLNAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep010_4_20.npz
+[2026-08-19 23:52:01,529] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>D
+[2026-08-19 23:54:02,959] [INFO] [train_post.py:707] 存活突变体: KVFGRCDLAAAMKRHGLDNYDGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep010_5_20.npz
+[2026-08-19 23:54:03,757] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 23:54:03,845] [INFO] [train_post.py:1108] 新亲本结构已重建: KDFGRCDLAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 23:54:04,139] [INFO] [pseudo_labels.py:75] 伪标签回流: 238 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1904 条）
+[2026-08-19 23:54:04,851] [INFO] [train_post.py:1175] [ep 10] Head D 置信度 loss: 0.4332
+[2026-08-19 23:54:04,852] [INFO] [train_post.py:1178] [ep 10] alpha=0.998 buffer=420 | wt=KDFGRCDLAAAMKRHGLDNY | 13309s
+[2026-08-19 23:54:05,885] [INFO] [train_post.py:1223] [ep 10] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-20 00:02:35,477] [WARNING] [train_post.py:1035] [ep 11] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.574096143245697, 296.91649782657623, 0.0)
+[2026-08-20 00:03:49,583] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 00:03:50,267] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 29:V>E
+[2026-08-20 00:05:43,068] [INFO] [train_post.py:707] 存活突变体: KDFGRCDLAAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep011_0_20.npz
+[2026-08-20 00:05:43,748] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 8:L>N
+[2026-08-20 00:07:32,314] [INFO] [train_post.py:707] 存活突变体: KDFGRCDNAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep011_1_20.npz
+[2026-08-20 00:07:32,993] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 9:A>N
+[2026-08-20 00:09:37,785] [INFO] [train_post.py:707] 存活突变体: KDFGRCDLNAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep011_2_20.npz
+[2026-08-20 00:09:38,731] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 29:V>E
+[2026-08-20 00:11:50,834] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGRCDLAAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 00:11:51,793] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 57:Q>E
+[2026-08-20 00:13:55,300] [INFO] [train_post.py:707] 存活突变体: KDFGRCDLAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNSNTDGSTDYGILEINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep011_3_20.npz
+[2026-08-20 00:13:56,246] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 29:V>E
+[2026-08-20 00:16:03,954] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGRCDLAAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 00:16:04,815] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 00:16:04,892] [INFO] [train_post.py:1108] 新亲本结构已重建: KDFGRCDLAAAMKRHGLDNY... (n_res=129)
+[2026-08-20 00:16:05,207] [INFO] [pseudo_labels.py:75] 伪标签回流: 242 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1936 条）
+[2026-08-20 00:24:39,755] [WARNING] [train_post.py:1035] [ep 12] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.815597057342529, 316.4720144867897, 0.0)
+[2026-08-20 00:26:04,339] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 00:26:05,332] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 7:D>N;9:A>N
+[2026-08-20 00:28:20,507] [INFO] [train_post.py:707] 存活突变体: KDFGRCNLNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep012_0_20.npz
+[2026-08-20 00:28:21,541] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 9:A>N
+[2026-08-20 00:30:30,000] [INFO] [train_post.py:707] 存活突变体: KDFGRCDLNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep012_1_20.npz
+[2026-08-20 00:30:31,032] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>D
+[2026-08-20 00:32:27,223] [INFO] [train_post.py:707] 存活突变体: KDFGRCDLAAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep012_2_20.npz
+[2026-08-20 00:32:28,145] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>D
+[2026-08-20 00:34:20,598] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGRCDLAAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 00:34:21,335] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 00:34:21,415] [INFO] [train_post.py:1108] 新亲本结构已重建: KDFGRCNLNAAMKRHGLDNY... (n_res=129)
+[2026-08-20 00:34:21,735] [INFO] [pseudo_labels.py:75] 伪标签回流: 245 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1960 条）
+[2026-08-20 00:42:00,859] [WARNING] [train_post.py:1035] [ep 13] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (7.229384124279022, 330.0, 0.0)
+[2026-08-20 00:43:11,393] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 00:43:12,075] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 8:L>N
+[2026-08-20 00:45:17,651] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep013_0_20.npz
+[2026-08-20 00:45:18,627] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>D
+[2026-08-20 00:47:18,262] [INFO] [train_post.py:707] 存活突变体: KDFGRCNLNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep013_1_20.npz
+[2026-08-20 00:47:19,218] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>D
+[2026-08-20 00:49:20,802] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGRCNLNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 00:49:21,886] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>D
+[2026-08-20 00:51:22,795] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGRCNLNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 00:51:23,742] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>D
+[2026-08-20 00:53:23,732] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGRCNLNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 00:53:24,555] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 00:53:24,649] [INFO] [train_post.py:1108] 新亲本结构已重建: KDFGRCNNNAAMKRHGLDNY... (n_res=129)
+[2026-08-20 00:53:24,987] [INFO] [pseudo_labels.py:75] 伪标签回流: 247 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 1976 条）
+[2026-08-20 01:02:01,212] [WARNING] [train_post.py:1035] [ep 14] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 318.3421124815941, 0.0)
+[2026-08-20 01:03:27,102] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 01:03:28,056] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 29:E>H
+[2026-08-20 01:06:03,992] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYRGYSLGNWHCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep014_0_20.npz
+[2026-08-20 01:06:04,850] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>D
+[2026-08-20 01:07:58,240] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep014_1_20.npz
+[2026-08-20 01:07:59,107] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 96:K>N
+[2026-08-20 01:09:57,736] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECANKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep014_2_20.npz
+[2026-08-20 01:09:58,288] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 01:09:58,359] [INFO] [train_post.py:1108] 新亲本结构已重建: KDFGRCNNNAAMKRHGLDNY... (n_res=129)
+[2026-08-20 01:09:58,622] [INFO] [pseudo_labels.py:75] 伪标签回流: 250 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2000 条）
+[2026-08-20 01:17:32,645] [WARNING] [train_post.py:1035] [ep 15] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 328.41871374845505, 0.0)
+[2026-08-20 01:18:57,790] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 01:18:58,872] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 29:H>E
+[2026-08-20 01:21:05,670] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep015_0_20.npz
+[2026-08-20 01:21:06,671] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 96:K>N
+[2026-08-20 01:23:37,639] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYRGYSLGNWHCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECANKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep015_1_20.npz
+[2026-08-20 01:23:38,641] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>D
+[2026-08-20 01:25:38,160] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYDGYSLGNWHCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep015_2_20.npz
+[2026-08-20 01:25:39,153] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>D
+[2026-08-20 01:27:38,411] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGRCNNNAAMKRHGLDNYDGYSLGNWHCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 01:27:39,383] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 29:H>E
+[2026-08-20 01:29:53,751] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGRCNNNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 01:29:54,691] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 96:K>N
+[2026-08-20 01:32:43,368] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGRCNNNAAMKRHGLDNYRGYSLGNWHCAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECANKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 01:32:44,191] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 01:32:44,290] [INFO] [train_post.py:1108] 新亲本结构已重建: KDFGRCNNNAAMKRHGLDNY... (n_res=129)
+[2026-08-20 01:32:44,649] [INFO] [pseudo_labels.py:75] 伪标签回流: 253 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2024 条）
+[2026-08-20 01:41:09,297] [WARNING] [train_post.py:1035] [ep 16] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (5.09327495098114, 301.2302224636078, 0.0)
+[2026-08-20 01:42:30,591] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 01:42:31,623] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>D
+[2026-08-20 01:44:33,081] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep016_0_20.npz
+[2026-08-20 01:44:34,046] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>D
+[2026-08-20 01:46:34,595] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 01:46:35,592] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 96:K>N
+[2026-08-20 01:49:04,810] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECANKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep016_1_20.npz
+[2026-08-20 01:49:05,844] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 5:R>F
+[2026-08-20 01:51:21,849] [INFO] [train_post.py:707] 存活突变体: KDFGFCNNNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep016_2_20.npz
+[2026-08-20 01:51:22,848] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 5:R>F
+[2026-08-20 01:53:37,623] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGFCNNNAAMKRHGLDNYRGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 01:53:38,591] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>D
+[2026-08-20 01:55:39,799] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 01:55:40,720] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 01:55:40,828] [INFO] [train_post.py:1108] 新亲本结构已重建: KDFGRCNNNAAMKRHGLDNY... (n_res=129)
+[2026-08-20 01:55:44,924] [INFO] [pseudo_labels.py:75] 伪标签回流: 256 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2048 条）
+[2026-08-20 02:04:17,005] [WARNING] [train_post.py:1035] [ep 17] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 289.8490934371948, 0.0)
+[2026-08-20 02:05:34,914] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 02:05:35,805] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:D>N
+[2026-08-20 02:07:28,974] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYNGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep017_0_20.npz
+[2026-08-20 02:07:29,664] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 96:K>N
+[2026-08-20 02:09:26,364] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECANKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep017_1_20.npz
+[2026-08-20 02:09:27,060] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 57:Q>D
+[2026-08-20 02:11:13,322] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep017_2_20.npz
+[2026-08-20 02:11:14,008] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 56:L>D
+[2026-08-20 02:13:13,589] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGIDQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.79, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep017_3_20.npz
+[2026-08-20 02:13:14,570] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 96:K>N
+[2026-08-20 02:15:32,377] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECANKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 02:15:33,369] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 56:L>D
+[2026-08-20 02:17:42,775] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGIDQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 02:17:43,605] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 02:17:43,703] [INFO] [train_post.py:1108] 新亲本结构已重建: KDFGRCNNNAAMKRHGLDNY... (n_res=129)
+[2026-08-20 02:17:44,063] [INFO] [pseudo_labels.py:75] 伪标签回流: 260 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2080 条）
+[2026-08-20 02:26:20,945] [WARNING] [train_post.py:1035] [ep 18] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+[2026-08-20 02:27:44,347] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 02:27:45,311] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 57:Q>D
+[2026-08-20 02:29:50,736] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYNGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep018_0_20.npz
+[2026-08-20 02:29:51,703] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:N>D
+[2026-08-20 02:31:53,970] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep018_1_20.npz
+[2026-08-20 02:31:54,987] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 96:K>N
+[2026-08-20 02:34:09,568] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYNGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECANKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep018_2_20.npz
+[2026-08-20 02:34:10,582] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 56:L>D
+[2026-08-20 02:36:20,440] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYNGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGIDQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep018_3_20.npz
+[2026-08-20 02:36:21,340] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 25:L>W
+[2026-08-20 02:38:27,681] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYNGYSWGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep018_4_20.npz
+[2026-08-20 02:38:28,567] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 56:L>E
+[2026-08-20 02:40:30,724] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYNGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGIEQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.79, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep018_5_20.npz
+[2026-08-20 02:40:31,608] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:N>D
+[2026-08-20 02:42:26,377] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 02:42:27,232] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 37:N>E
+[2026-08-20 02:44:24,960] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYNGYSLGNWECAAKFESEFNTQATNSNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep018_6_20.npz
+[2026-08-20 02:44:25,698] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 02:44:25,794] [INFO] [train_post.py:1108] 新亲本结构已重建: KDFGRCNNNAAMKRHGLDNY... (n_res=129)
+[2026-08-20 02:44:26,141] [INFO] [pseudo_labels.py:75] 伪标签回流: 267 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2136 条）
+[2026-08-20 02:52:56,832] [WARNING] [train_post.py:1035] [ep 19] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 268.80599078536034, 0.0)
+[2026-08-20 02:54:21,696] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 02:54:22,728] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 37:N>E
+[2026-08-20 02:56:24,673] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYNGYSLGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep019_0_20.npz
+[2026-08-20 02:56:25,643] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 25:L>W
+[2026-08-20 02:58:40,933] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYNGYSWGNWECAAKFESNFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep019_1_20.npz
+[2026-08-20 02:58:41,924] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:N>D
+[2026-08-20 03:00:41,404] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.79, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep019_2_20.npz
+[2026-08-20 03:00:42,383] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 37:N>W
+[2026-08-20 03:03:14,118] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYNGYSLGNWECAAKFESWFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep019_3_20.npz
+[2026-08-20 03:03:15,116] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 5:R>F
+[2026-08-20 03:05:33,153] [INFO] [train_post.py:707] 存活突变体: KDFGFCNNNAAMKRHGLDNYNGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep019_4_20.npz
+[2026-08-20 03:05:34,152] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:N>D
+[2026-08-20 03:07:29,802] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESNFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 03:07:30,565] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 03:07:30,669] [INFO] [train_post.py:1108] 新亲本结构已重建: KDFGRCNNNAAMKRHGLDNY... (n_res=129)
+[2026-08-20 03:07:31,018] [INFO] [pseudo_labels.py:75] 伪标签回流: 272 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2176 条）
+[2026-08-20 03:15:05,258] [WARNING] [train_post.py:1035] [ep 20] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 287.4952840209007, 0.0)
+[2026-08-20 03:16:15,964] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 03:16:16,650] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 25:L>W
+[2026-08-20 03:18:11,226] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYNGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep020_0_20.npz
+[2026-08-20 03:18:11,905] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:N>D
+[2026-08-20 03:20:05,016] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYDGYSLGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep020_1_20.npz
+[2026-08-20 03:20:06,021] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 5:R>F
+[2026-08-20 03:22:18,359] [INFO] [train_post.py:707] 存活突变体: KDFGFCNNNAAMKRHGLDNYNGYSLGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep020_2_20.npz
+[2026-08-20 03:22:19,214] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 03:22:19,342] [INFO] [train_post.py:1108] 新亲本结构已重建: KDFGRCNNNAAMKRHGLDNY... (n_res=129)
+[2026-08-20 03:22:19,713] [INFO] [pseudo_labels.py:75] 伪标签回流: 275 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2200 条）
+[2026-08-20 03:22:19,722] [INFO] [train_post.py:1175] [ep 20] Head D 置信度 loss: 0.4271
+[2026-08-20 03:22:19,723] [INFO] [train_post.py:1178] [ep 20] alpha=0.994 buffer=820 | wt=KDFGRCNNNAAMKRHGLDNY | 25804s
+[2026-08-20 03:22:21,200] [INFO] [train_post.py:1223] [ep 20] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-20 03:30:56,603] [WARNING] [train_post.py:1035] [ep 21] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (7.816463232040405, 330.0, 0.0)
+[2026-08-20 03:32:21,683] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 03:32:22,684] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 5:R>F
+[2026-08-20 03:34:36,273] [INFO] [train_post.py:707] 存活突变体: KDFGFCNNNAAMKRHGLDNYNGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep021_0_20.npz
+[2026-08-20 03:34:37,191] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:N>D
+[2026-08-20 03:36:39,000] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep021_1_20.npz
+[2026-08-20 03:36:39,915] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 77:N>D
+[2026-08-20 03:38:40,835] [INFO] [train_post.py:707] 存活突变体: KDFGRCNNNAAMKRHGLDNYNGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCDIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep021_2_20.npz
+[2026-08-20 03:38:41,783] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:N>D
+[2026-08-20 03:40:43,504] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGRCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 03:40:44,331] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 03:40:44,458] [INFO] [train_post.py:1108] 新亲本结构已重建: KDFGFCNNNAAMKRHGLDNY... (n_res=129)
+[2026-08-20 03:40:44,841] [INFO] [pseudo_labels.py:75] 伪标签回流: 278 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2224 条）
+[2026-08-20 03:48:50,921] [WARNING] [train_post.py:1035] [ep 22] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.88065218925476, 299.6951537132263, 0.0)
+[2026-08-20 03:50:08,418] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 03:50:09,223] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:N>D
+[2026-08-20 03:52:03,099] [INFO] [train_post.py:707] 存活突变体: KDFGFCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.77, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep022_0_20.npz
+[2026-08-20 03:52:03,945] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 77:N>D
+[2026-08-20 03:53:55,382] [INFO] [train_post.py:707] 存活突变体: KDFGFCNNNAAMKRHGLDNYNGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCDIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.77, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep022_1_20.npz
+[2026-08-20 03:53:56,289] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:N>D
+[2026-08-20 03:55:54,441] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGFCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 03:55:55,294] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:N>D
+[2026-08-20 03:57:49,213] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGFCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCNIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 03:57:50,079] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 77:N>D
+[2026-08-20 03:59:46,482] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KDFGFCNNNAAMKRHGLDNYNGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCDIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-20 03:59:47,318] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:N>D
+[2026-08-20 04:01:17,504] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 184/400 (T=223K, U=1.045e8)
+[2026-08-20 04:01:18,325] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:N>D
+[2026-08-20 04:03:00,302] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 215/400 (T=244K, U=1.040e8)
+[2026-08-20 04:03:00,302] [WARNING] [train_post.py:518] [restart-gate] 新增爆炸黑名单 1 项 (equilibrate 爆炸, bucket=base): ['21:N>D']
+[2026-08-20 04:03:01,037] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 04:03:01,172] [INFO] [train_post.py:1108] 新亲本结构已重建: KDFGFCNNNAAMKRHGLDNY... (n_res=129)
+[2026-08-20 04:03:04,434] [INFO] [pseudo_labels.py:75] 伪标签回流: 280 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2240 条）
+[2026-08-20 04:11:00,418] [WARNING] [train_post.py:1035] [ep 23] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.297521591186523, 309.06894040107727, 0.0)
+[2026-08-20 04:12:16,882] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 04:12:17,705] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 77:N>D
+[2026-08-20 04:14:13,356] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 254/400 (T=278K, U=1.024e8)
+[2026-08-20 04:14:14,201] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 77:N>D
+[2026-08-20 04:16:11,998] [INFO] [train_post.py:707] 存活突变体: KDFGFCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGILDINSRWWCNDGRTPGSRNLCDIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep023_0_20.npz
+[2026-08-20 04:16:12,853] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 77:N>D
+[2026-08-20 04:18:15,773] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 272/400 (T=290K, U=1.091e8)
+[2026-08-20 04:18:15,774] [WARNING] [train_post.py:518] [restart-gate] 新增爆炸黑名单 1 项 (equilibrate 爆炸, bucket=acid): ['77:N>D']
+[2026-08-20 04:18:15,785] [INFO] [train_post.py:594] [restart-gate] 命中黑名单，跳过 build（fitness=-1.0）: 77:N>D
+[2026-08-20 04:18:15,786] [INFO] [train_post.py:594] [restart-gate] 命中黑名单，跳过 build（fitness=-1.0）: 77:N>D
+[2026-08-20 04:18:16,514] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 04:18:16,639] [INFO] [train_post.py:1108] 新亲本结构已重建: KDFGFCNNNAAMKRHGLDNY... (n_res=129)
+[2026-08-20 04:18:18,039] [INFO] [pseudo_labels.py:75] 伪标签回流: 281 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2248 条）
+[2026-08-20 04:26:14,275] [WARNING] [train_post.py:1035] [ep 24] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (3.7286489009857178, 279.0212215781212, 0.0)
+[2026-08-20 04:27:29,917] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 04:27:30,746] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 56:L>D
+[2026-08-20 04:29:32,119] [INFO] [train_post.py:707] 存活突变体: KDFGFCNNNAAMKRHGLDNYDGYSWGNWECAAKFESEFNTQATNSNTDGSTDYGIDDINSRWWCNDGRTPGSRNLCDIPCSALLSSENNASEECAKKIVSDGCGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.78, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_8d8f_ep024_0_20.npz
+[2026-08-20 04:29:32,846] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 04:29:32,983] [INFO] [train_post.py:1108] 新亲本结构已重建: KDFGFCNNNAAMKRHGLDNY... (n_res=129)
+[2026-08-20 04:29:33,313] [INFO] [pseudo_labels.py:75] 伪标签回流: 282 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2256 条）
+[2026-08-20 04:37:31,197] [WARNING] [train_post.py:1035] [ep 25] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (7.820995211601257, 327.2017676830292, 0.0)
+[2026-08-20 04:38:47,659] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 04:54:03,252] [WARNING] [train_post.py:1035] [ep 30] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 297.9229120016098, 0.0)
+[2026-08-20 04:55:19,570] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 04:55:19,589] [INFO] [train_post.py:1175] [ep 30] Head D 置信度 loss: 0.3523
+[2026-08-20 04:55:19,591] [INFO] [train_post.py:1178] [ep 30] alpha=0.991 buffer=1200 | wt=KDFGFCNNNAAMKRHGLDNY | 31383s
+[2026-08-20 04:55:20,422] [INFO] [train_post.py:1223] [ep 30] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-20 05:20:20,707] [INFO] [train_post.py:1223] [ep 39] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-20 05:22:19,287] [WARNING] [structure.py:127] 1JVT 多链 [('A', 124), ('B', 124)]，取最长链 A （path B 按 res_seq 分组需单链；传 chain_id 可指定）
+[2026-08-20 05:22:19,381] [INFO] [train_post.py:1282] 数据管线初始结构: KETAAAKFERQHMDSSTSAASSSNYCNQMM... n_res=124
+[2026-08-20 05:22:19,482] [INFO] [train_post.py:804] [自检] reward归一化: True | reward±10clip: True | clampA+B: True | place_sidechain: True | pred_ca默认: True
+[2026-08-20 05:22:19,482] [INFO] [train_post.py:805] [自检] sac防护: u_hist归一化: True | 输入清洗: True | y/q clip: True | q clip: True | y兜底: True | NaN梯度置零: True
+[2026-08-20 05:25:01,281] [INFO] [train_post.py:837] 快筛通过: U=-782209.7 kcal/mol，进入双路探索
+[2026-08-20 05:25:07,658] [INFO] [train_post.py:67] 已加载 Pre-train 权重: ../data/data_efficiency/n10/checkpoints/best_weights.weights.h5
+[2026-08-20 05:27:55,913] [INFO] [train_post.py:909] [anchor] m5 基线: 0.020
+[2026-08-20 05:31:51,275] [WARNING] [train_post.py:1035] [ep 0] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 273.17440688610077, 0.0)
+[2026-08-20 05:33:14,098] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 05:33:15,025] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 20:A>V
+[2026-08-20 05:35:26,910] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep000_0_20.npz
+[2026-08-20 05:35:27,874] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 113:N>L
+[2026-08-20 05:37:21,211] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV (steps=20, Q=0.87, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep000_1_20.npz
+[2026-08-20 05:37:22,127] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 86:E>L
+[2026-08-20 05:39:21,382] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRLTGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep000_2_20.npz
+[2026-08-20 05:39:22,350] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 82:T>W;83:D>W
+[2026-08-20 05:41:31,714] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSIWWCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep000_3_20.npz
+[2026-08-20 05:41:32,715] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 113:N>H
+[2026-08-20 05:43:27,093] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGHPYVPVHFDASV (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep000_4_20.npz
+[2026-08-20 05:43:28,064] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 30:M>W
+[2026-08-20 05:45:38,776] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAASSSNYCNQMWKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep000_5_20.npz
+[2026-08-20 05:45:39,785] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 103:N>I
+[2026-08-20 05:47:43,957] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQAIKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep000_6_20.npz
+[2026-08-20 05:47:44,850] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 05:47:44,858] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERQHMDSSTSAV... (n_res=124)
+[2026-08-20 05:47:46,759] [INFO] [pseudo_labels.py:75] 伪标签回流: 289 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2312 条）
+[2026-08-20 05:47:46,763] [INFO] [train_post.py:1178] [ep 0] alpha=1.000 buffer=20 | wt=KETAAAKFERQHMDSSTSAV | 1359s
+[2026-08-20 05:47:51,218] [INFO] [train_post.py:1223] [ep 0] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-20 05:52:03,944] [WARNING] [train_post.py:1035] [ep 1] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (7.394058346748352, 273.81004190444946, 0.0)
+[2026-08-20 05:53:30,350] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 05:53:31,305] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 113:N>L
+[2026-08-20 05:55:25,697] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep001_0_20.npz
+[2026-08-20 05:55:26,687] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 103:N>I
+[2026-08-20 05:57:25,888] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQAIKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep001_1_20.npz
+[2026-08-20 05:57:26,749] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:S>V
+[2026-08-20 05:59:27,584] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAVVSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep001_2_20.npz
+[2026-08-20 05:59:28,440] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 122:A>L
+[2026-08-20 06:01:31,498] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDLSV (steps=20, Q=0.88, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep001_3_20.npz
+[2026-08-20 06:01:32,351] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 103:N>I
+[2026-08-20 06:03:29,955] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQAIKHIIVACEGNPYVPVHFDASV
+[2026-08-20 06:03:30,825] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 11:Q>L
+[2026-08-20 06:06:07,681] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep001_4_20.npz
+[2026-08-20 06:06:08,411] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 06:06:08,424] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERQHMDSSTSAV... (n_res=124)
+[2026-08-20 06:06:08,784] [INFO] [pseudo_labels.py:75] 伪标签回流: 294 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2352 条）
+[2026-08-20 06:10:06,687] [WARNING] [train_post.py:1035] [ep 2] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.027936518192291, 271.2679364681244, 0.0)
+[2026-08-20 06:11:21,767] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 06:11:22,630] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 11:Q>L
+[2026-08-20 06:14:08,895] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep002_0_20.npz
+[2026-08-20 06:14:09,735] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 86:E>L
+[2026-08-20 06:15:57,196] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRLTGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep002_1_20.npz
+[2026-08-20 06:15:58,045] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 122:A>L
+[2026-08-20 06:17:54,843] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDLSV (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep002_2_20.npz
+[2026-08-20 06:17:55,713] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 103:N>I
+[2026-08-20 06:19:51,702] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQAIKHIIVACEGLPYVPVHFDASV (steps=20, Q=0.87, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep002_3_20.npz
+[2026-08-20 06:19:52,549] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 23:S>I
+[2026-08-20 06:21:42,740] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAVSSINYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV (steps=20, Q=0.88, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep002_4_20.npz
+[2026-08-20 06:21:43,599] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 38:D>K
+[2026-08-20 06:23:50,607] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep002_5_20.npz
+[2026-08-20 06:23:51,414] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 39:R>K
+[2026-08-20 06:25:43,771] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERQHMDSSTSAVSSSNYCNQMMKSRNLTKDKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep002_6_20.npz
+[2026-08-20 06:25:44,476] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 06:25:44,494] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSSTSAV... (n_res=124)
+[2026-08-20 06:25:44,867] [INFO] [pseudo_labels.py:75] 伪标签回流: 301 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2408 条）
+[2026-08-20 06:29:44,656] [WARNING] [train_post.py:1035] [ep 3] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.706906855106354, 273.9858247637749, 0.0)
+[2026-08-20 06:31:01,434] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 06:31:02,250] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 23:S>I
+[2026-08-20 06:32:52,340] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep003_0_20.npz
+[2026-08-20 06:32:53,180] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 103:N>I
+[2026-08-20 06:34:49,862] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQAIKHIIVACEGLPYVPVHFDASV (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep003_1_20.npz
+[2026-08-20 06:34:50,697] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 38:D>K;39:R>K
+[2026-08-20 06:36:54,533] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSSNYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep003_2_20.npz
+[2026-08-20 06:36:55,391] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 103:N>I
+[2026-08-20 06:38:54,045] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KETAAAKFERLHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQAIKHIIVACEGLPYVPVHFDASV
+[2026-08-20 06:38:54,917] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 28:Q>K
+[2026-08-20 06:41:01,482] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSSNYCNKMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep003_3_20.npz
+[2026-08-20 06:41:02,516] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 114:P>L;122:A>L
+[2026-08-20 06:43:08,985] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFDLSV (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep003_4_20.npz
+[2026-08-20 06:43:09,966] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 37:K>L;38:D>K;122:A>L
+[2026-08-20 06:45:21,050] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSSNYCNQMMKSRNLTLKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDLSV (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep003_5_20.npz
+[2026-08-20 06:45:21,909] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 06:45:21,933] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSSTSAV... (n_res=124)
+[2026-08-20 06:45:22,330] [INFO] [pseudo_labels.py:75] 伪标签回流: 307 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2456 条）
+[2026-08-20 06:49:35,070] [WARNING] [train_post.py:1035] [ep 4] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (7.214591383934021, 272.6323856115341, 0.0)
+[2026-08-20 06:50:59,542] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 06:51:00,507] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 38:D>K
+[2026-08-20 06:53:19,828] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep004_0_20.npz
+[2026-08-20 06:53:20,784] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 38:D>K
+[2026-08-20 06:55:36,389] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV
+[2026-08-20 06:55:37,365] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 114:P>L;123:S>L
+[2026-08-20 06:57:50,524] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFDALV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep004_1_20.npz
+[2026-08-20 06:57:51,607] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 103:N>I
+[2026-08-20 06:59:58,179] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQAIKHIIVACEGLPYVPVHFDASV (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep004_2_20.npz
+[2026-08-20 06:59:59,116] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 122:A>L
+[2026-08-20 07:01:58,944] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDLSV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep004_3_20.npz
+[2026-08-20 07:01:59,811] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 38:D>K;39:R>K
+[2026-08-20 07:04:04,886] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep004_4_20.npz
+[2026-08-20 07:04:05,758] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 38:D>K
+[2026-08-20 07:06:17,592] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDASV
+[2026-08-20 07:06:18,333] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 07:06:18,362] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSSTSAV... (n_res=124)
+[2026-08-20 07:06:18,732] [INFO] [pseudo_labels.py:75] 伪标签回流: 312 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2496 条）
+[2026-08-20 07:10:12,330] [WARNING] [train_post.py:1035] [ep 5] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 272.97221767902374, 0.0)
+[2026-08-20 07:11:28,975] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 07:11:29,774] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 39:R>K
+[2026-08-20 07:12:43,774] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 120/400 (T=169K, U=1.156e8)
+[2026-08-20 07:12:44,618] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 114:P>L;122:A>L;123:S>L
+[2026-08-20 07:14:52,833] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFDLLV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep005_0_20.npz
+[2026-08-20 07:14:53,668] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 39:R>K
+[2026-08-20 07:16:21,445] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 150/400 (T=187K, U=1.046e8)
+[2026-08-20 07:16:21,446] [WARNING] [train_post.py:518] [restart-gate] 新增爆炸黑名单 1 项 (equilibrate 爆炸, bucket=base): ['39:R>K']
+[2026-08-20 07:16:22,284] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 121:D>L
+[2026-08-20 07:18:19,632] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFLASV (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep005_1_20.npz
+[2026-08-20 07:18:20,491] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 122:A>L;123:S>L
+[2026-08-20 07:20:26,230] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLPYVPVHFDLLV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep005_2_20.npz
+[2026-08-20 07:20:26,974] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 07:20:27,019] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSSTSAV... (n_res=124)
+[2026-08-20 07:20:27,397] [INFO] [pseudo_labels.py:75] 伪标签回流: 315 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2520 条）
+[2026-08-20 07:24:23,806] [WARNING] [train_post.py:1035] [ep 6] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.064471155405045, 275.9503102302551, 0.0)
+[2026-08-20 07:25:38,754] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 07:25:39,623] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 121:D>L
+[2026-08-20 07:27:49,521] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep006_0_20.npz
+[2026-08-20 07:27:50,316] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 124:V>L
+[2026-08-20 07:29:43,473] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFDLLL (steps=20, Q=0.88, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep006_1_20.npz
+[2026-08-20 07:29:44,203] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 07:29:44,248] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSSTSAV... (n_res=124)
+[2026-08-20 07:29:44,651] [INFO] [pseudo_labels.py:75] 伪标签回流: 317 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2536 条）
+[2026-08-20 07:33:42,294] [WARNING] [train_post.py:1035] [ep 7] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.121139883995056, 276.0261552333832, 0.0)
+[2026-08-20 07:34:58,103] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 07:34:58,104] [INFO] [train_post.py:594] [restart-gate] 命中黑名单，跳过 build（fitness=-1.0）: 39:R>K
+[2026-08-20 07:40:14,813] [WARNING] [train_post.py:1035] [ep 8] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 261.7221566438675, 0.0)
+[2026-08-20 07:41:31,739] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 07:41:32,577] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 124:V>L
+[2026-08-20 07:43:34,992] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep008_0_20.npz
+[2026-08-20 07:43:35,860] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 124:V>L
+[2026-08-20 07:45:37,623] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KETAAAKFERLHMDSSTSAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLL
+[2026-08-20 07:45:38,612] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 16:S>E;17:T>E;85:R>E
+[2026-08-20 07:47:53,073] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep008_1_20.npz
+[2026-08-20 07:47:53,924] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 07:47:54,006] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSSTSAV... (n_res=124)
+[2026-08-20 07:47:54,419] [INFO] [pseudo_labels.py:75] 伪标签回流: 319 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2552 条）
+[2026-08-20 07:52:14,452] [WARNING] [train_post.py:1035] [ep 9] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 271.7891914844513, 0.0)
+[2026-08-20 07:53:38,188] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 07:53:39,152] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 17:T>E
+[2026-08-20 07:55:54,113] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep009_0_20.npz
+[2026-08-20 07:55:54,939] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 07:55:55,004] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSSESAV... (n_res=124)
+[2026-08-20 07:55:55,424] [INFO] [pseudo_labels.py:75] 伪标签回流: 320 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2560 条）
+[2026-08-20 08:00:07,482] [WARNING] [train_post.py:1035] [ep 10] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 273.102142393589, 0.0)
+[2026-08-20 08:01:30,548] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 08:01:31,456] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 16:S>E
+[2026-08-20 08:03:38,709] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep010_0_20.npz
+[2026-08-20 08:03:39,707] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 89:S>L
+[2026-08-20 08:05:48,977] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGLSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep010_1_20.npz
+[2026-08-20 08:05:50,011] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 87:T>L
+[2026-08-20 08:07:53,923] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSSESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRELGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep010_2_20.npz
+[2026-08-20 08:07:54,669] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 08:07:54,737] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSEESAV... (n_res=124)
+[2026-08-20 08:07:55,143] [INFO] [pseudo_labels.py:75] 伪标签回流: 323 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2584 条）
+[2026-08-20 08:07:55,680] [INFO] [train_post.py:1175] [ep 10] Head D 置信度 loss: 0.3468
+[2026-08-20 08:07:55,681] [INFO] [train_post.py:1178] [ep 10] alpha=1.000 buffer=240 | wt=KETAAAKFERLHMDSEESAV | 9768s
+[2026-08-20 08:07:56,672] [INFO] [train_post.py:1223] [ep 10] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-20 08:11:57,996] [WARNING] [train_post.py:1035] [ep 11] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 273.52600932121277, 0.0)
+[2026-08-20 08:13:21,792] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 08:13:21,792] [INFO] [train_post.py:594] [restart-gate] 命中黑名单，跳过 build（fitness=-1.0）: 1:K>W;39:R>K
+[2026-08-20 08:13:22,642] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 85:R>E
+[2026-08-20 08:15:30,663] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGSSKYPNCAYKTTQANKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep011_0_20.npz
+[2026-08-20 08:15:30,664] [INFO] [train_post.py:594] [restart-gate] 命中黑名单，跳过 build（fitness=-1.0）: 39:R>K
+[2026-08-20 08:15:31,391] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 08:15:31,465] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSEESAV... (n_res=124)
+[2026-08-20 08:15:31,832] [INFO] [pseudo_labels.py:75] 伪标签回流: 324 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2592 条）
+[2026-08-20 08:19:51,741] [WARNING] [train_post.py:1035] [ep 12] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 275.76223570108414, 0.0)
+[2026-08-20 08:21:06,120] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 08:21:06,941] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 103:N>I
+[2026-08-20 08:22:59,540] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGSSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep012_0_20.npz
+[2026-08-20 08:23:00,395] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 08:23:00,477] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSEESAV... (n_res=124)
+[2026-08-20 08:23:00,892] [INFO] [pseudo_labels.py:75] 伪标签回流: 325 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2600 条）
+[2026-08-20 08:27:13,290] [WARNING] [train_post.py:1035] [ep 13] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.644067108631134, 273.55966997146606, 0.0)
+[2026-08-20 08:28:36,173] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 08:28:37,131] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 89:S>L
+[2026-08-20 08:30:39,315] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep013_0_20.npz
+[2026-08-20 08:30:40,234] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 85:E>L
+[2026-08-20 08:32:49,929] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEESAVSSINYCNQMMKSRNLTKKRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCLETGSSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep013_1_20.npz
+[2026-08-20 08:32:50,731] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 08:32:50,817] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSEESAV... (n_res=124)
+[2026-08-20 08:32:51,209] [INFO] [pseudo_labels.py:75] 伪标签回流: 327 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2616 条）
+[2026-08-20 08:37:02,492] [WARNING] [train_post.py:1035] [ep 14] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (7.511257857084274, 269.39732521772385, 0.0)
+[2026-08-20 08:38:24,767] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 08:38:25,719] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 39:R>K
+[2026-08-20 08:40:31,614] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEESAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep014_0_20.npz
+[2026-08-20 08:40:32,470] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 08:40:32,564] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSEESAV... (n_res=124)
+[2026-08-20 08:40:32,975] [INFO] [pseudo_labels.py:75] 伪标签回流: 328 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2624 条）
+[2026-08-20 08:44:42,565] [WARNING] [train_post.py:1035] [ep 15] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (7.497476518154144, 270.134859085083, 0.0)
+[2026-08-20 08:45:57,792] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 08:45:58,652] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 87:T>L
+[2026-08-20 08:48:36,055] [ERROR] [train_post.py:709] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 397/400 (T=270K, U=1.238e8)
+[2026-08-20 08:48:36,726] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 18:S>E
+[2026-08-20 08:50:23,873] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep015_0_20.npz
+[2026-08-20 08:50:24,406] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 08:50:24,484] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSEEEAV... (n_res=124)
+[2026-08-20 08:50:24,836] [INFO] [pseudo_labels.py:75] 伪标签回流: 329 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2632 条）
+[2026-08-20 08:54:15,284] [WARNING] [train_post.py:1035] [ep 16] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.092531383037567, 268.83167839050293, 0.0)
+[2026-08-20 08:55:38,322] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 08:55:39,274] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 38:K>E
+[2026-08-20 08:57:38,381] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKEKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.88, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep016_0_20.npz
+[2026-08-20 08:57:39,317] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 90:S>L
+[2026-08-20 08:59:45,038] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLLKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep016_1_20.npz
+[2026-08-20 08:59:45,815] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 08:59:45,916] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSEEEAV... (n_res=124)
+[2026-08-20 08:59:46,391] [INFO] [pseudo_labels.py:75] 伪标签回流: 331 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2648 条）
+[2026-08-20 09:03:55,467] [WARNING] [train_post.py:1035] [ep 17] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (7.212314486503601, 277.44270408153534, 0.0)
+[2026-08-20 09:05:16,954] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 09:05:17,863] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 38:E>K
+[2026-08-20 09:07:27,433] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep017_0_20.npz
+[2026-08-20 09:07:28,361] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 90:S>L
+[2026-08-20 09:09:38,906] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKEKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLLKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep017_1_20.npz
+[2026-08-20 09:09:39,822] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 38:E>K
+[2026-08-20 09:11:50,571] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL
+[2026-08-20 09:11:51,566] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 38:E>K
+[2026-08-20 09:14:01,706] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL
+[2026-08-20 09:14:02,716] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 38:E>K
+[2026-08-20 09:16:13,571] [WARNING] [train_post.py:693] 本集重复存活，跳过重复写盘: KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLSKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL
+[2026-08-20 09:16:14,308] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 09:16:14,405] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSEEEAV... (n_res=124)
+[2026-08-20 09:16:14,807] [INFO] [pseudo_labels.py:75] 伪标签回流: 333 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2664 条）
+[2026-08-20 09:20:10,672] [WARNING] [train_post.py:1035] [ep 18] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.070721209049225, 266.0748987197876, 0.0)
+[2026-08-20 09:21:25,912] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 09:21:26,780] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 90:S>L
+[2026-08-20 09:23:23,697] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEETGLLKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep018_0_20.npz
+[2026-08-20 09:23:24,528] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 09:23:24,640] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSEEEAV... (n_res=124)
+[2026-08-20 09:23:25,067] [INFO] [pseudo_labels.py:75] 伪标签回流: 334 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2672 条）
+[2026-08-20 09:27:35,535] [WARNING] [train_post.py:1035] [ep 19] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 261.97809660434723, 0.0)
+[2026-08-20 09:28:58,755] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 09:28:59,656] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 87:T>L
+[2026-08-20 09:31:09,636] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEELGLLKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep019_0_20.npz
+[2026-08-20 09:31:10,450] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 09:31:10,567] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSEEEAV... (n_res=124)
+[2026-08-20 09:31:10,994] [INFO] [pseudo_labels.py:75] 伪标签回流: 335 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2680 条）
+[2026-08-20 09:35:22,261] [WARNING] [train_post.py:1035] [ep 20] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.609123587608337, 260.0, 0.0)
+[2026-08-20 09:36:47,412] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 09:36:47,498] [INFO] [train_post.py:1175] [ep 20] Head D 置信度 loss: 0.3142
+[2026-08-20 09:36:47,499] [INFO] [train_post.py:1178] [ep 20] alpha=0.997 buffer=440 | wt=KETAAAKFERLHMDSEEEAV | 15100s
+[2026-08-20 09:36:48,509] [INFO] [train_post.py:1223] [ep 20] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-20 09:38:13,155] [WARNING] [train_post.py:1035] [ep 21] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 260.0, 0.0)
+[2026-08-20 09:39:33,059] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 09:39:34,028] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 86:E>L
+[2026-08-20 09:41:37,771] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCELLGLLKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep021_0_20.npz
+[2026-08-20 09:41:38,657] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 09:41:38,783] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSEEEAV... (n_res=124)
+[2026-08-20 09:41:39,238] [INFO] [pseudo_labels.py:75] 伪标签回流: 336 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2688 条）
+[2026-08-20 09:45:48,361] [WARNING] [train_post.py:1035] [ep 22] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.469513535499573, 260.0, 0.0)
+[2026-08-20 09:47:02,162] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 09:47:02,999] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 85:E>L
+[2026-08-20 09:49:12,069] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCLLLGLLKYPNCAYKTTQAIKHIIVACEGLLYVPVHFLLLL (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep022_0_20.npz
+[2026-08-20 09:49:12,779] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 09:49:12,890] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSEEEAV... (n_res=124)
+[2026-08-20 09:49:13,297] [INFO] [pseudo_labels.py:75] 伪标签回流: 337 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2696 条）
+[2026-08-20 09:53:04,219] [WARNING] [train_post.py:1035] [ep 23] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 260.0, 0.0)
+[2026-08-20 09:54:14,298] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 09:55:25,485] [WARNING] [train_post.py:1035] [ep 24] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.0, 262.29959440231323, 0.0)
+[2026-08-20 09:56:33,707] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 09:56:34,355] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 107:I>L
+[2026-08-20 09:58:28,820] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCLLLGLLKYPNCAYKTTQAIKHILVACEGLLYVPVHFLLLL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep024_0_20.npz
+[2026-08-20 09:58:29,789] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 09:58:29,919] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSEEEAV... (n_res=124)
+[2026-08-20 09:58:30,242] [INFO] [pseudo_labels.py:75] 伪标签回流: 338 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2704 条）
+[2026-08-20 10:02:03,065] [WARNING] [train_post.py:1035] [ep 25] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 260.0, 0.0)
+[2026-08-20 10:03:16,355] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 10:03:16,985] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 108:V>L
+[2026-08-20 10:05:14,608] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLHMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCLLLGLLKYPNCAYKTTQAIKHILLACEGLLYVPVHFLLLL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep025_0_20.npz
+[2026-08-20 10:05:15,127] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 10:05:15,226] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLHMDSEEEAV... (n_res=124)
+[2026-08-20 10:05:15,552] [INFO] [pseudo_labels.py:75] 伪标签回流: 339 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2712 条）
+[2026-08-20 10:08:53,401] [WARNING] [train_post.py:1035] [ep 26] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.403517484664917, 272.09403800964355, 0.0)
+[2026-08-20 10:09:59,930] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 10:11:16,468] [WARNING] [train_post.py:1035] [ep 27] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 260.0, 0.0)
+[2026-08-20 10:12:22,985] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 10:13:34,020] [WARNING] [train_post.py:1035] [ep 28] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 260.0, 0.0)
+[2026-08-20 10:14:41,288] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 10:15:53,152] [WARNING] [train_post.py:1035] [ep 29] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 260.0, 0.0)
+[2026-08-20 10:16:59,600] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 10:18:10,514] [WARNING] [train_post.py:1035] [ep 30] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 262.1861777305603, 0.0)
+[2026-08-20 10:19:19,599] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 10:19:20,266] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 12:H>L
+[2026-08-20 10:21:14,880] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLLMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCLLLGLLKYPNCAYKTTQAIKHILLACEGLLYVPVHFLLLL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep030_0_20.npz
+[2026-08-20 10:21:15,414] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 10:21:15,518] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLLMDSEEEAV... (n_res=124)
+[2026-08-20 10:21:15,854] [INFO] [pseudo_labels.py:75] 伪标签回流: 340 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2720 条）
+[2026-08-20 10:21:15,859] [INFO] [train_post.py:1175] [ep 30] Head D 置信度 loss: 0.2990
+[2026-08-20 10:21:15,860] [INFO] [train_post.py:1178] [ep 30] alpha=0.993 buffer=640 | wt=KETAAAKFERLLMDSEEEAV | 17768s
+[2026-08-20 10:21:16,319] [INFO] [train_post.py:1223] [ep 30] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
+[2026-08-20 10:24:54,126] [WARNING] [train_post.py:1035] [ep 31] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 260.06728625297546, 0.0)
+[2026-08-20 10:26:01,516] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 10:26:10,384] [WARNING] [train_post.py:1035] [ep 32] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 262.95049810409546, 0.0)
+[2026-08-20 10:27:16,475] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 10:27:17,145] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 85:L>E
+[2026-08-20 10:29:14,385] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLLMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCELLGLLKYPNCAYKTTQAIKHILLACEGLLYVPVHFLLLL (steps=20, Q=0.80, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep032_0_20.npz
+[2026-08-20 10:29:14,903] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 10:29:15,007] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLLMDSEEEAV... (n_res=124)
+[2026-08-20 10:29:15,329] [INFO] [pseudo_labels.py:75] 伪标签回流: 341 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2728 条）
+[2026-08-20 10:32:49,818] [WARNING] [train_post.py:1035] [ep 33] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.0, 262.4403438568115, 0.0)
+[2026-08-20 10:33:56,887] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 10:33:57,527] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 106:I>L
+[2026-08-20 10:35:51,433] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLLMDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCELLGLLKYPNCAYKTTQAIKHLLLACEGLLYVPVHFLLLL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep033_0_20.npz
+[2026-08-20 10:35:51,975] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 10:35:52,084] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLLMDSEEEAV... (n_res=124)
+[2026-08-20 10:35:52,412] [INFO] [pseudo_labels.py:75] 伪标签回流: 342 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2736 条）
+[2026-08-20 10:39:23,171] [WARNING] [train_post.py:1035] [ep 34] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 260.0, 0.0)
+[2026-08-20 10:40:30,589] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 10:41:42,095] [WARNING] [train_post.py:1035] [ep 35] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 260.3583402633667, 0.0)
+[2026-08-20 10:42:50,663] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 10:42:51,315] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 13:M>L
+[2026-08-20 10:44:44,918] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLLLDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCELLGLLKYPNCAYKTTQAIKHLLLACEGLLYVPVHFLLLL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep035_0_20.npz
+[2026-08-20 10:44:45,444] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 10:44:45,556] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLLLDSEEEAV... (n_res=124)
+[2026-08-20 10:44:45,889] [INFO] [pseudo_labels.py:75] 伪标签回流: 343 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2744 条）
+[2026-08-20 10:48:17,541] [WARNING] [train_post.py:1035] [ep 36] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 278.5234537124634, 0.0)
+[2026-08-20 10:49:24,294] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 10:49:24,934] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 86:L>E
+[2026-08-20 10:51:15,784] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLLLDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEELGLLKYPNCAYKTTQAIKHLLLACEGLLYVPVHFLLLL (steps=20, Q=0.81, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep036_0_20.npz
+[2026-08-20 10:51:16,430] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 96:A>L
+[2026-08-20 10:53:08,779] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLLLDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCELLGLLKYPNCLYKTTQAIKHLLLACEGLLYVPVHFLLLL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep036_1_20.npz
+[2026-08-20 10:53:09,316] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 10:53:09,425] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLLLDSEEEAV... (n_res=124)
+[2026-08-20 10:53:09,761] [INFO] [pseudo_labels.py:75] 伪标签回流: 345 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2760 条）
+[2026-08-20 10:56:44,943] [WARNING] [train_post.py:1035] [ep 37] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.025518417358398, 260.0, 0.0)
+[2026-08-20 10:57:53,098] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 10:57:53,779] [WARNING] [train_post.py:612] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 96:A>L
+[2026-08-20 10:59:45,940] [INFO] [train_post.py:707] 存活突变体: KETAAAKFERLLLDSEEEAVSSINYCNQMMKSRNLTKKKCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCEELGLLKYPNCLYKTTQAIKHLLLACEGLLYVPVHFLLLL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n10/pseudo_labels/pseudo_1jvt_ep037_0_20.npz
+[2026-08-20 10:59:46,477] [WARNING] [train_post.py:951] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 10:59:46,593] [INFO] [train_post.py:1108] 新亲本结构已重建: KETAAAKFERLLLDSEEEAV... (n_res=124)
+[2026-08-20 10:59:46,923] [INFO] [pseudo_labels.py:75] 伪标签回流: 346 条 -> ../data/data_efficiency/n10/pseudo.tfrecord（加权后 2768 条）
+[2026-08-20 11:04:09,765] [WARNING] [train_post.py:1035] [ep 38] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 260.0, 0.0)
+[2026-08-20 11:05:17,791] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 11:06:42,648] [WARNING] [train_post.py:1035] [ep 39] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 261.8857111930847, 0.0)
+[2026-08-20 11:08:01,265] [INFO] [train_post.py:561] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 11:08:02,561] [INFO] [train_post.py:1223] [ep 39] checkpoint -> ../data/data_efficiency/n10/checkpoints/posttrain
diff --git a/seventh_mut/n45000/.DS_Store b/seventh_mut/n45000/.DS_Store
new file mode 100644
index 0000000000000000000000000000000000000000..c1bd4feb73a2057090c554137e4ad4baa905cc56
Binary files /dev/null and b/seventh_mut/n45000/.DS_Store differ
diff --git a/seventh_mut/n45000/._pretrain.yaml b/seventh_mut/n45000/._pretrain.yaml
new file mode 100644
index 0000000000000000000000000000000000000000..ff8003fe927be6d3ce0e2c46328f823d6de8c100
Binary files /dev/null and b/seventh_mut/n45000/._pretrain.yaml differ
diff --git a/seventh_mut/n45000/45k_119457744.err b/seventh_mut/n45000/45k_119457744.err
new file mode 100644
index 0000000000000000000000000000000000000000..768560c8c27b5173ca46793fbb9e4969bf6dc585
--- /dev/null
+++ b/seventh_mut/n45000/45k_119457744.err
@@ -0,0 +1,3677 @@
+2026-08-19 03:50:48.451026: I external/local_xla/xla/tsl/cuda/cudart_stub.cc:31] Could not find cuda drivers on your machine, GPU will not be used.
+2026-08-19 03:50:48.562244: I tensorflow/core/platform/cpu_feature_guard.cc:210] This TensorFlow binary is optimized to use available CPU instructions in performance-critical operations.
+To enable the following instructions: AVX2 FMA, in other operations, rebuild TensorFlow with the appropriate compiler flags.
+2026-08-19 03:50:51.309985: I external/local_xla/xla/tsl/cuda/cudart_stub.cc:31] Could not find cuda drivers on your machine, GPU will not be used.
+[2026-08-19 03:50:54,314] [INFO] 数据管线初始结构: MEKSFVITDPRLPDNPIIFASDGFLELTEY... n_res=116
+[2026-08-19 03:50:54,330] [INFO] [自检] reward归一化: True | reward±10clip: True | clampA+B: True | place_sidechain: True | pred_ca默认: True
+[2026-08-19 03:50:54,330] [INFO] [自检] sac防护: u_hist归一化: True | 输入清洗: True | y/q clip: True | q clip: True | y兜底: True | NaN梯度置零: True
+dedup_altloc: dropped 79 alternate-conformer atoms (1020 -> 941)
+Added 4 Na+ ion(s) to neutralize net charge (-4.160e).
+[2026-08-19 03:53:36,801] [INFO] 快筛通过: U=-806050.6 kcal/mol，进入双路探索
+2026-08-19 03:53:36.827917: E external/local_xla/xla/stream_executor/cuda/cuda_platform.cc:51] failed call to cuInit: INTERNAL: CUDA error: Failed call to cuInit: UNKNOWN ERROR (303)
+/public/home/redelectricity/miniconda3/envs/spice/lib/python3.12/site-packages/keras/src/saving/saving_lib.py:685: UserWarning: A total of 3 objects could not be loaded. Example error message for object <Dense name=head_b_mutation, built=True>:
+
+Layer 'head_b_mutation' expected 2 variables, but received 0 variables during loading. Expected: ['kernel', 'bias']
+
+List of objects that could not be loaded:
+[<Dense name=head_b_mutation, built=True>, <Dense name=head_c_env_offset, built=True>, <Dense name=head_d_confidence, built=True>]
+  warnings.warn(msg)
+[2026-08-19 03:53:41,581] [INFO] 已加载 Pre-train 权重: checkpoints/pretrain/best_weights.weights.h5
+
RL post-train:   0%|          | 0/40 [00:00<?, ?ep/s]dedup_altloc: dropped 79 alternate-conformer atoms (1020 -> 941)
+Added 4 Na+ ion(s) to neutralize net charge (-4.160e).
+[2026-08-19 03:56:38,290] [INFO] [anchor] m5 基线: 0.046
+dedup_altloc: dropped 79 alternate-conformer atoms (1020 -> 941)
+Added 7 Na+ ion(s) to neutralize net charge (-7.398e).
+dedup_altloc: dropped 79 alternate-conformer atoms (1020 -> 941)
+Added 4 Na+ ion(s) to neutralize net charge (-4.160e).
+[2026-08-19 04:00:51,584] [WARNING] [ep 0] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (5.584493972361088, 296.4749059677124, 0.0)
+dedup_altloc: dropped 79 alternate-conformer atoms (1020 -> 941)
+Added 4 Na+ ion(s) to neutralize net charge (-4.160e).
+[2026-08-19 04:02:11,141] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 04:02:11,860] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 62:D>W;63:Q>W
+dedup_altloc: dropped 79 alternate-conformer atoms (1031 -> 952)
+Removed 5 H(s) to resolve clashes.
+dedup_altloc: dropped 79 alternate-conformer atoms (1031 -> 952)
+Removed 5 H(s) to resolve clashes.
+[2026-08-19 04:02:12,140] [ERROR] 突变构建失败（pred_ca 与 wild 均失败）: Missing bond params for O-CA (atoms #542-#551)
+[2026-08-19 04:02:12,952] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:Q>W
+dedup_altloc: dropped 79 alternate-conformer atoms (1025 -> 946)
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:04:17,345] [INFO] 存活突变体: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDWATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.91, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep000_0_20.npz
+[2026-08-19 04:04:18,025] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 63:Q>W;64:R>W
+dedup_altloc: dropped 79 alternate-conformer atoms (1028 -> 949)
+Removed 7 H(s) to resolve clashes.
+dedup_altloc: dropped 79 alternate-conformer atoms (1028 -> 949)
+Removed 7 H(s) to resolve clashes.
+[2026-08-19 04:04:18,207] [ERROR] 突变构建失败（pred_ca 与 wild 均失败）: Missing bond params for O-CA (atoms #536-#545)
+[2026-08-19 04:04:18,894] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:Q>W;64:R>W
+dedup_altloc: dropped 79 alternate-conformer atoms (1028 -> 949)
+Removed 1 H(s) to resolve clashes.
+[solvent_reuse] Pruned 24 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.274e) by adding 1 Na+ ion(s).
+[2026-08-19 04:06:28,200] [INFO] 存活突变体: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDWATVQKIQDAIRDQWEITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.91, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep000_1_20.npz
+[2026-08-19 04:06:28,932] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 109:I>V;110:P>V;111:N>V
+dedup_altloc: dropped 79 alternate-conformer atoms (1018 -> 939)
+Removed 2 H(s) to resolve clashes.
+[solvent_reuse] Pruned 20 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:08:20,403] [INFO] 存活突变体: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDQATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFVVVPLLGL (steps=20, Q=0.91, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep000_2_20.npz
+[2026-08-19 04:08:21,092] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:P>V
+dedup_altloc: dropped 79 alternate-conformer atoms (1020 -> 941)
+Removed 2 H(s) to resolve clashes.
+[solvent_reuse] Pruned 19 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:10:13,120] [INFO] 存活突变体: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDQATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.91, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep000_3_20.npz
+[2026-08-19 04:10:13,853] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:Q>W
+dedup_altloc: dropped 79 alternate-conformer atoms (1025 -> 946)
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:12:17,706] [WARNING] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDWATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL
+[2026-08-19 04:12:18,413] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 111:N>V
+dedup_altloc: dropped 79 alternate-conformer atoms (1019 -> 940)
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:14:12,515] [INFO] 存活突变体: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDQATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPVPLLGL (steps=20, Q=0.90, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep000_4_20.npz
+[2026-08-19 04:14:13,290] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 04:14:13,306] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPIIFA... (n_res=116)
+[2026-08-19 04:14:13,345] [INFO] 伪标签回流: 5 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 40 条）
+[2026-08-19 04:14:13,349] [INFO] [ep 0] alpha=1.000 buffer=20 | wt=MEKSFVITDPRLPDNPIIFA | 1232s
+[2026-08-19 04:14:17,233] [INFO] [ep 0] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:   0%|          | 0/40 [20:35<?, ?ep/s, alpha=1.000, buffer=20, crash=Y, wt=MEKSFVIT]
RL post-train:   2%|▎         | 1/40 [20:35<13:23:04, 1235.51s/ep, alpha=1.000, buffer=20, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 79 alternate-conformer atoms (1025 -> 946)
+Added 7 Na+ ion(s) to neutralize net charge (-7.398e).
+dedup_altloc: dropped 79 alternate-conformer atoms (1025 -> 946)
+Added 4 Na+ ion(s) to neutralize net charge (-4.160e).
+[2026-08-19 04:18:32,279] [WARNING] [ep 1] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (5.574574589729309, 288.83768004179, 0.0)
+dedup_altloc: dropped 79 alternate-conformer atoms (1025 -> 946)
+Added 4 Na+ ion(s) to neutralize net charge (-4.160e).
+[2026-08-19 04:19:51,773] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 04:19:52,515] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 63:Q>W
+dedup_altloc: dropped 79 alternate-conformer atoms (1030 -> 951)
+Removed 5 H(s) to resolve clashes.
+dedup_altloc: dropped 79 alternate-conformer atoms (1030 -> 951)
+Removed 5 H(s) to resolve clashes.
+[2026-08-19 04:19:52,696] [ERROR] 突变构建失败（pred_ca 与 wild 均失败）: Missing bond params for O-CA (atoms #541-#550)
+[2026-08-19 04:19:53,432] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 18:I>V;110:P>V
+dedup_altloc: dropped 75 alternate-conformer atoms (1020 -> 945)
+Removed 2 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:21:55,462] [INFO] 存活突变体: MEKSFVITDPRLPDNPIVFASDGFLELTEYSREEILGRNGRFLQGPETDWATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.91, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep001_0_20.npz
+[2026-08-19 04:21:56,382] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 51:A>W
+dedup_altloc: dropped 79 alternate-conformer atoms (1034 -> 955)
+[solvent_reuse] Pruned 22 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:23:57,864] [INFO] 存活突变体: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDWWTVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.91, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep001_1_20.npz
+[2026-08-19 04:23:58,615] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:P>V;111:N>V
+dedup_altloc: dropped 79 alternate-conformer atoms (1024 -> 945)
+Removed 2 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:25:50,995] [INFO] 存活突变体: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDWATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVVPLLGL (steps=20, Q=0.89, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep001_2_20.npz
+[2026-08-19 04:25:51,770] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 49:D>W;51:A>W
+dedup_altloc: dropped 79 alternate-conformer atoms (1040 -> 961)
+Removed 5 H(s) to resolve clashes.
+[solvent_reuse] Pruned 26 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:27:58,629] [INFO] 存活突变体: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETWWWTVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL (steps=20, Q=0.90, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep001_3_20.npz
+[2026-08-19 04:27:59,365] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 62:D>W;63:Q>W;64:R>W
+dedup_altloc: dropped 79 alternate-conformer atoms (1039 -> 960)
+Removed 7 H(s) to resolve clashes.
+dedup_altloc: dropped 79 alternate-conformer atoms (1039 -> 960)
+Removed 7 H(s) to resolve clashes.
+[2026-08-19 04:27:59,594] [ERROR] 突变构建失败（pred_ca 与 wild 均失败）: Missing bond params for O-CA (atoms #547-#556)
+[2026-08-19 04:28:00,325] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 111:N>V
+dedup_altloc: dropped 79 alternate-conformer atoms (1024 -> 945)
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:29:53,110] [INFO] 存活突变体: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDWATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPVPLLGL (steps=20, Q=0.90, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep001_4_20.npz
+[2026-08-19 04:29:54,037] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 51:A>W
+dedup_altloc: dropped 79 alternate-conformer atoms (1034 -> 955)
+[solvent_reuse] Pruned 22 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:31:54,924] [WARNING] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDWWTVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL
+[2026-08-19 04:31:55,572] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 04:31:55,592] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPIVFA... (n_res=116)
+[2026-08-19 04:31:55,609] [INFO] 伪标签回流: 10 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 80 条）
+
RL post-train:   2%|▎         | 1/40 [38:13<13:23:04, 1235.51s/ep, alpha=0.999, buffer=40, crash=Y, wt=MEKSFVIT]
RL post-train:   5%|▌         | 2/40 [38:13<11:56:30, 1131.32s/ep, alpha=0.999, buffer=40, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 75 alternate-conformer atoms (1020 -> 945)
+Removed 2 H(s) to resolve clashes.
+Added 8 Na+ ion(s) to neutralize net charge (-7.516e).
+dedup_altloc: dropped 75 alternate-conformer atoms (1020 -> 945)
+Removed 2 H(s) to resolve clashes.
+Added 4 Na+ ion(s) to neutralize net charge (-4.279e).
+[2026-08-19 04:36:04,104] [WARNING] [ep 2] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (5.871240735054016, 296.614204287529, 0.0)
+dedup_altloc: dropped 75 alternate-conformer atoms (1020 -> 945)
+Removed 2 H(s) to resolve clashes.
+Added 4 Na+ ion(s) to neutralize net charge (-4.279e).
+[2026-08-19 04:37:21,178] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 04:37:21,915] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 64:R>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1023 -> 948)
+Removed 3 H(s) to resolve clashes.
+[solvent_reuse] Pruned 21 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.392e) by adding 1 Na+ ion(s).
+[2026-08-19 04:39:24,516] [INFO] 存活突变体: MEKSFVITDPRLPDNPIVFASDGFLELTEYSREEILGRNGRFLQGPETDWATVQKIQDAIRDQWEITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.90, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep002_0_20.npz
+[2026-08-19 04:39:25,372] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 17:I>V
+dedup_altloc: dropped 75 alternate-conformer atoms (1019 -> 944)
+Removed 2 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:41:21,619] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFASDGFLELTEYSREEILGRNGRFLQGPETDWATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.90, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep002_1_20.npz
+[2026-08-19 04:41:22,348] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 111:N>V
+dedup_altloc: dropped 75 alternate-conformer atoms (1019 -> 944)
+Removed 2 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:43:16,421] [INFO] 存活突变体: MEKSFVITDPRLPDNPIVFASDGFLELTEYSREEILGRNGRFLQGPETDWATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVVPLLGL (steps=20, Q=0.89, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep002_2_20.npz
+[2026-08-19 04:43:17,168] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 49:D>W;51:A>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1035 -> 960)
+Removed 7 H(s) to resolve clashes.
+[solvent_reuse] Pruned 25 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:45:18,150] [INFO] 存活突变体: MEKSFVITDPRLPDNPIVFASDGFLELTEYSREEILGRNGRFLQGPETWWWTVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.91, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep002_3_20.npz
+[2026-08-19 04:45:18,901] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 17:I>V
+dedup_altloc: dropped 75 alternate-conformer atoms (1019 -> 944)
+Removed 2 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:47:15,567] [WARNING] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDNPVVFASDGFLELTEYSREEILGRNGRFLQGPETDWATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL
+[2026-08-19 04:47:16,459] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 49:D>W;51:A>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1035 -> 960)
+Removed 7 H(s) to resolve clashes.
+[solvent_reuse] Pruned 25 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:49:20,010] [WARNING] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDNPIVFASDGFLELTEYSREEILGRNGRFLQGPETWWWTVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL
+[2026-08-19 04:49:20,658] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 04:49:20,687] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPIVFA... (n_res=116)
+[2026-08-19 04:49:20,706] [INFO] 伪标签回流: 14 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 112 条）
+
RL post-train:   5%|▌         | 2/40 [55:38<11:56:30, 1131.32s/ep, alpha=0.999, buffer=60, crash=Y, wt=MEKSFVIT]
RL post-train:   8%|▊         | 3/40 [55:38<11:13:22, 1091.95s/ep, alpha=0.999, buffer=60, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 75 alternate-conformer atoms (1023 -> 948)
+Removed 3 H(s) to resolve clashes.
+Added 9 Na+ ion(s) to neutralize net charge (-8.629e).
+dedup_altloc: dropped 75 alternate-conformer atoms (1023 -> 948)
+Removed 3 H(s) to resolve clashes.
+Added 11 Cl- ion(s) to neutralize net charge (+10.851e).
+[2026-08-19 04:53:31,317] [WARNING] [ep 3] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 286.8383690714836, 0.0)
+dedup_altloc: dropped 75 alternate-conformer atoms (1023 -> 948)
+Removed 3 H(s) to resolve clashes.
+Added 11 Cl- ion(s) to neutralize net charge (+10.851e).
+[2026-08-19 04:54:50,788] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 04:54:51,552] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 51:A>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1032 -> 957)
+Removed 3 H(s) to resolve clashes.
+[solvent_reuse] Pruned 19 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:56:56,895] [INFO] 存活突变体: MEKSFVITDPRLPDNPIVFASDGFLELTEYSREEILGRNGRFLQGPETDWWTVQKIQDAIRDQWEITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.89, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep003_0_20.npz
+[2026-08-19 04:56:57,595] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 17:I>V
+dedup_altloc: dropped 75 alternate-conformer atoms (1022 -> 947)
+Removed 3 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 04:59:24,536] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFASDGFLELTEYSREEILGRNGRFLQGPETDWATVQKIQDAIRDQWEITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.90, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep003_1_20.npz
+[2026-08-19 04:59:25,340] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 49:D>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1029 -> 954)
+Removed 8 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.005e) by adding 1 Na+ ion(s).
+[2026-08-19 05:01:34,061] [INFO] 存活突变体: MEKSFVITDPRLPDNPIVFASDGFLELTEYSREEILGRNGRFLQGPETWWATVQKIQDAIRDQWEITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.91, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep003_2_20.npz
+[2026-08-19 05:01:34,919] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 66:I>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1029 -> 954)
+Removed 3 H(s) to resolve clashes.
+[solvent_reuse] Pruned 21 clashing water molecule(s) near mutated residues.
+[2026-08-19 05:04:13,525] [INFO] 存活突变体: MEKSFVITDPRLPDNPIVFASDGFLELTEYSREEILGRNGRFLQGPETDWATVQKIQDAIRDQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.91, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep003_3_20.npz
+[2026-08-19 05:04:14,289] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 51:A>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1032 -> 957)
+Removed 3 H(s) to resolve clashes.
+[solvent_reuse] Pruned 19 clashing water molecule(s) near mutated residues.
+[2026-08-19 05:06:18,268] [WARNING] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDNPIVFASDGFLELTEYSREEILGRNGRFLQGPETDWWTVQKIQDAIRDQWEITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL
+[2026-08-19 05:06:18,920] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 05:06:18,961] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPIVFA... (n_res=116)
+[2026-08-19 05:06:18,987] [INFO] 伪标签回流: 18 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 144 条）
+
RL post-train:   8%|▊         | 3/40 [1:12:37<11:13:22, 1091.95s/ep, alpha=0.998, buffer=80, crash=Y, wt=MEKSFVIT]
RL post-train:  10%|█         | 4/40 [1:12:37<10:37:43, 1062.87s/ep, alpha=0.998, buffer=80, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 75 alternate-conformer atoms (1032 -> 957)
+Removed 3 H(s) to resolve clashes.
+Added 9 Na+ ion(s) to neutralize net charge (-8.629e).
+dedup_altloc: dropped 75 alternate-conformer atoms (1032 -> 957)
+Removed 3 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-5.392e).
+[2026-08-19 05:10:26,580] [WARNING] [ep 4] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 274.0301003456116, 0.0)
+dedup_altloc: dropped 75 alternate-conformer atoms (1032 -> 957)
+Removed 3 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-5.392e).
+[2026-08-19 05:11:45,389] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 05:11:46,236] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 49:D>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1038 -> 963)
+Removed 8 H(s) to resolve clashes.
+[solvent_reuse] Pruned 20 clashing water molecule(s) near mutated residues.
+[2026-08-19 05:13:54,393] [INFO] 存活突变体: MEKSFVITDPRLPDNPIVFASDGFLELTEYSREEILGRNGRFLQGPETWWWTVQKIQDAIRDQWEITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.90, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep004_0_20.npz
+[2026-08-19 05:13:55,132] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 66:I>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1038 -> 963)
+Removed 3 H(s) to resolve clashes.
+[solvent_reuse] Pruned 24 clashing water molecule(s) near mutated residues.
+[2026-08-19 05:16:19,831] [INFO] 存活突变体: MEKSFVITDPRLPDNPIVFASDGFLELTEYSREEILGRNGRFLQGPETDWWTVQKIQDAIRDQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.90, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep004_1_20.npz
+[2026-08-19 05:16:20,600] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 25:L>D;63:Q>W
+dedup_altloc: dropped 71 alternate-conformer atoms (1033 -> 962)
+Removed 9 H(s) to resolve clashes.
+dedup_altloc: dropped 71 alternate-conformer atoms (1033 -> 962)
+Removed 9 H(s) to resolve clashes.
+[2026-08-19 05:16:20,850] [ERROR] 突变构建失败（pred_ca 与 wild 均失败）: Missing bond params for O-CA (atoms #541-#550)
+[2026-08-19 05:16:21,567] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 17:I>V;63:Q>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1036 -> 961)
+Removed 9 H(s) to resolve clashes.
+dedup_altloc: dropped 75 alternate-conformer atoms (1036 -> 961)
+Removed 9 H(s) to resolve clashes.
+[2026-08-19 05:16:21,807] [ERROR] 突变构建失败（pred_ca 与 wild 均失败）: Missing bond params for O-CA (atoms #544-#553)
+[2026-08-19 05:16:22,527] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 63:Q>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1037 -> 962)
+Removed 9 H(s) to resolve clashes.
+dedup_altloc: dropped 75 alternate-conformer atoms (1037 -> 962)
+Removed 9 H(s) to resolve clashes.
+[2026-08-19 05:16:22,767] [ERROR] 突变构建失败（pred_ca 与 wild 均失败）: Missing bond params for O-CA (atoms #545-#554)
+[2026-08-19 05:16:23,402] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 05:16:23,454] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPIVFA... (n_res=116)
+[2026-08-19 05:16:23,482] [INFO] 伪标签回流: 20 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 160 条）
+
RL post-train:  10%|█         | 4/40 [1:22:41<10:37:43, 1062.87s/ep, alpha=0.998, buffer=100, crash=Y, wt=MEKSFVIT]
RL post-train:  12%|█▎        | 5/40 [1:22:41<8:43:35, 897.57s/ep, alpha=0.998, buffer=100, crash=Y, wt=MEKSFVIT]  dedup_altloc: dropped 75 alternate-conformer atoms (1038 -> 963)
+Removed 8 H(s) to resolve clashes.
+Added 8 Na+ ion(s) to neutralize net charge (-8.485e).
+dedup_altloc: dropped 75 alternate-conformer atoms (1038 -> 963)
+Removed 8 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-5.248e).
+[2026-08-19 05:20:31,155] [WARNING] [ep 5] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.754756808280945, 282.8627675771713, 0.0)
+dedup_altloc: dropped 75 alternate-conformer atoms (1038 -> 963)
+Removed 8 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-5.248e).
+[2026-08-19 05:21:55,568] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 05:21:56,297] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 17:I>V
+dedup_altloc: dropped 75 alternate-conformer atoms (1037 -> 962)
+Removed 8 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[2026-08-19 05:24:04,266] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFASDGFLELTEYSREEILGRNGRFLQGPETWWWTVQKIQDAIRDQWEITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.89, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep005_0_20.npz
+[2026-08-19 05:24:05,112] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 34:E>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1043 -> 968)
+Removed 8 H(s) to resolve clashes.
+[solvent_reuse] Pruned 25 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.752e) by adding 1 Cl- ion(s).
+[2026-08-19 05:26:04,806] [INFO] 存活突变体: MEKSFVITDPRLPDNPIVFASDGFLELTEYSREWILGRNGRFLQGPETWWWTVQKIQDAIRDQWEITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.89, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep005_1_20.npz
+[2026-08-19 05:26:05,542] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 17:I>V
+dedup_altloc: dropped 75 alternate-conformer atoms (1037 -> 962)
+Removed 8 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[2026-08-19 05:28:08,485] [WARNING] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDNPVVFASDGFLELTEYSREEILGRNGRFLQGPETWWWTVQKIQDAIRDQWEITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL
+[2026-08-19 05:28:09,231] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:S>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1046 -> 971)
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 20 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.519e) by adding 1 Na+ ion(s).
+[2026-08-19 05:30:14,148] [INFO] 存活突变体: MEKSFVITDPRLPDNPIVFAWDGFLELTEYSREEILGRNGRFLQGPETWWWTVQKIQDAIRDQWEITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.90, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep005_2_20.npz
+[2026-08-19 05:30:14,780] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 05:30:14,831] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPVVFA... (n_res=116)
+[2026-08-19 05:30:14,858] [INFO] 伪标签回流: 23 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 184 条）
+
RL post-train:  12%|█▎        | 5/40 [1:36:33<8:43:35, 897.57s/ep, alpha=0.997, buffer=120, crash=Y, wt=MEKSFVIT]
RL post-train:  15%|█▌        | 6/40 [1:36:33<8:15:52, 875.07s/ep, alpha=0.997, buffer=120, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 75 alternate-conformer atoms (1037 -> 962)
+Removed 8 H(s) to resolve clashes.
+Added 8 Na+ ion(s) to neutralize net charge (-8.485e).
+dedup_altloc: dropped 75 alternate-conformer atoms (1037 -> 962)
+Removed 8 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-5.248e).
+[2026-08-19 05:34:29,213] [WARNING] [ep 6] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.915505766868591, 280.8720101118088, 0.0)
+dedup_altloc: dropped 75 alternate-conformer atoms (1037 -> 962)
+Removed 8 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-5.248e).
+[2026-08-19 05:35:48,021] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 05:35:48,954] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:S>W;66:I>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1051 -> 976)
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 25 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.519e) by adding 1 Na+ ion(s).
+[2026-08-19 05:37:58,683] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFAWDGFLELTEYSREEILGRNGRFLQGPETWWWTVQKIQDAIRDQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.89, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep006_0_20.npz
+[2026-08-19 05:37:59,447] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 34:E>W;35:I>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1048 -> 973)
+Removed 9 H(s) to resolve clashes.
+[solvent_reuse] Pruned 20 clashing water molecule(s) near mutated residues.
+[2026-08-19 05:40:11,146] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFASDGFLELTEYSREWWLGRNGRFLQGPETWWWTVQKIQDAIRDQWEITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.88, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep006_1_20.npz
+[2026-08-19 05:40:11,890] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:S>H;22:D>H
+dedup_altloc: dropped 75 alternate-conformer atoms (1043 -> 968)
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.781e) by adding 1 Na+ ion(s).
+[2026-08-19 05:42:21,071] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFAHHGFLELTEYSREEILGRNGRFLQGPETWWWTVQKIQDAIRDQWEITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.91, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep006_2_20.npz
+[2026-08-19 05:42:22,006] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:S>W;22:D>W;66:I>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1057 -> 982)
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 30 clashing water molecule(s) near mutated residues.
+[2026-08-19 05:44:35,043] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFAWWGFLELTEYSREEILGRNGRFLQGPETWWWTVQKIQDAIRDQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.91, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep006_3_20.npz
+[2026-08-19 05:44:35,685] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 05:44:35,763] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPVVFA... (n_res=116)
+[2026-08-19 05:44:35,795] [INFO] 伪标签回流: 27 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 216 条）
+
RL post-train:  15%|█▌        | 6/40 [1:50:54<8:15:52, 875.07s/ep, alpha=0.996, buffer=140, crash=Y, wt=MEKSFVIT]
RL post-train:  18%|█▊        | 7/40 [1:50:54<7:58:44, 870.45s/ep, alpha=0.996, buffer=140, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 75 alternate-conformer atoms (1051 -> 976)
+Removed 10 H(s) to resolve clashes.
+Added 9 Na+ ion(s) to neutralize net charge (-8.757e).
+dedup_altloc: dropped 75 alternate-conformer atoms (1051 -> 976)
+Removed 10 H(s) to resolve clashes.
+Added 6 Na+ ion(s) to neutralize net charge (-5.519e).
+[2026-08-19 05:48:45,563] [WARNING] [ep 7] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (7.832320034503937, 280.1773270368576, 0.0)
+dedup_altloc: dropped 75 alternate-conformer atoms (1051 -> 976)
+Removed 10 H(s) to resolve clashes.
+Added 6 Na+ ion(s) to neutralize net charge (-5.519e).
+[2026-08-19 05:50:03,063] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 05:50:03,810] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 22:D>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1057 -> 982)
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 20 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.070e) by adding 1 Cl- ion(s).
+[2026-08-19 05:52:11,489] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFAWWGFLELTEYSREEILGRNGRFLQGPETWWWTVQKIQDAIRDQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.89, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep007_0_20.npz
+[2026-08-19 05:52:12,284] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 35:I>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1057 -> 982)
+Removed 11 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[2026-08-19 05:54:22,135] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFAWDGFLELTEYSREEWLGRNGRFLQGPETWWWTVQKIQDAIRDQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.89, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep007_1_20.npz
+[2026-08-19 05:54:22,857] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 20:A>W;22:D>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1066 -> 991)
+Removed 15 H(s) to resolve clashes.
+[solvent_reuse] Pruned 20 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.991e) by adding 1 Cl- ion(s).
+[2026-08-19 05:56:36,841] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREEILGRNGRFLQGPETWWWTVQKIQDAIRDQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.89, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep007_2_20.npz
+[2026-08-19 05:56:37,490] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 05:56:37,623] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPVVFA... (n_res=116)
+[2026-08-19 05:56:37,667] [INFO] 伪标签回流: 30 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 240 条）
+
RL post-train:  18%|█▊        | 7/40 [2:02:55<7:58:44, 870.45s/ep, alpha=0.996, buffer=160, crash=Y, wt=MEKSFVIT]
RL post-train:  20%|██        | 8/40 [2:02:55<7:19:00, 823.16s/ep, alpha=0.996, buffer=160, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 75 alternate-conformer atoms (1057 -> 982)
+Removed 14 H(s) to resolve clashes.
+Added 8 Na+ ion(s) to neutralize net charge (-8.167e).
+dedup_altloc: dropped 75 alternate-conformer atoms (1057 -> 982)
+Removed 14 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-4.930e).
+[2026-08-19 06:00:45,765] [WARNING] [ep 8] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.0, 260.0, 0.0)
+dedup_altloc: dropped 75 alternate-conformer atoms (1057 -> 982)
+Removed 14 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-4.930e).
+[2026-08-19 06:02:02,701] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 06:02:03,518] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 35:I>W;56:I>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1069 -> 994)
+Removed 18 H(s) to resolve clashes.
+[solvent_reuse] Pruned 20 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.814e) by adding 1 Na+ ion(s).
+[2026-08-19 06:04:16,534] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFAWWGFLELTEYSREEWLGRNGRFLQGPETWWWTVQKWQDAIRDQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.90, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep008_0_20.npz
+[2026-08-19 06:04:17,274] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 20:A>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1066 -> 991)
+Removed 15 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[2026-08-19 06:06:25,240] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREEILGRNGRFLQGPETWWWTVQKIQDAIRDQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.89, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep008_1_20.npz
+[2026-08-19 06:06:25,922] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 06:06:26,024] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPVVFA... (n_res=116)
+[2026-08-19 06:06:26,058] [INFO] 伪标签回流: 32 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 256 条）
+
RL post-train:  20%|██        | 8/40 [2:12:44<7:19:00, 823.16s/ep, alpha=0.995, buffer=180, crash=Y, wt=MEKSFVIT]
RL post-train:  22%|██▎       | 9/40 [2:12:44<6:27:22, 749.76s/ep, alpha=0.995, buffer=180, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 75 alternate-conformer atoms (1069 -> 994)
+Removed 18 H(s) to resolve clashes.
+Added 9 Na+ ion(s) to neutralize net charge (-9.052e).
+dedup_altloc: dropped 75 alternate-conformer atoms (1069 -> 994)
+Removed 18 H(s) to resolve clashes.
+Added 6 Na+ ion(s) to neutralize net charge (-5.814e).
+[2026-08-19 06:10:35,592] [WARNING] [ep 9] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.208351343870163, 276.10300517082214, 0.0)
+dedup_altloc: dropped 75 alternate-conformer atoms (1069 -> 994)
+Removed 18 H(s) to resolve clashes.
+Added 6 Na+ ion(s) to neutralize net charge (-5.814e).
+[2026-08-19 06:11:53,979] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 06:11:54,716] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 20:A>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1078 -> 1003)
+Removed 21 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[2026-08-19 06:14:05,418] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREEWLGRNGRFLQGPETWWWTVQKWQDAIRDQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep009_0_20.npz
+[2026-08-19 06:14:06,062] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 06:14:06,179] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 06:14:06,229] [INFO] 伪标签回流: 33 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 264 条）
+
RL post-train:  22%|██▎       | 9/40 [2:20:24<6:27:22, 749.76s/ep, alpha=0.994, buffer=200, crash=Y, wt=MEKSFVIT]
RL post-train:  25%|██▌       | 10/40 [2:20:24<5:30:10, 660.36s/ep, alpha=0.994, buffer=200, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 75 alternate-conformer atoms (1078 -> 1003)
+Removed 21 H(s) to resolve clashes.
+Added 9 Na+ ion(s) to neutralize net charge (-9.458e).
+dedup_altloc: dropped 75 alternate-conformer atoms (1078 -> 1003)
+Removed 21 H(s) to resolve clashes.
+Added 6 Na+ ion(s) to neutralize net charge (-6.220e).
+[2026-08-19 06:18:15,515] [WARNING] [ep 10] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.0, 260.0, 0.0)
+dedup_altloc: dropped 75 alternate-conformer atoms (1078 -> 1003)
+Removed 21 H(s) to resolve clashes.
+Added 6 Na+ ion(s) to neutralize net charge (-6.220e).
+[2026-08-19 06:19:35,870] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 06:19:36,605] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 34:E>W;53:V>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1090 -> 1015)
+Removed 28 H(s) to resolve clashes.
+[solvent_reuse] Pruned 22 clashing water molecule(s) near mutated residues.
+[2026-08-19 06:22:00,175] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQKWQDAIRDQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.88, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep010_0_20.npz
+[2026-08-19 06:22:00,879] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 34:E>W;55:K>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1088 -> 1013)
+Removed 21 H(s) to resolve clashes.
+[solvent_reuse] Pruned 27 clashing water molecule(s) near mutated residues.
+[2026-08-19 06:24:18,313] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTVQWWQDAIRDQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep010_1_20.npz
+[2026-08-19 06:24:19,218] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 61:R>Q
+dedup_altloc: dropped 75 alternate-conformer atoms (1076 -> 1001)
+Removed 21 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.187e) by adding 1 Na+ ion(s).
+[2026-08-19 06:26:22,509] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREEWLGRNGRFLQGPETWWWTVQKWQDAIQDQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep010_2_20.npz
+[2026-08-19 06:26:23,276] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 34:E>W;62:D>Q;110:V>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1091 -> 1016)
+Removed 21 H(s) to resolve clashes.
+[solvent_reuse] Pruned 24 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.025e) by adding 1 Cl- ion(s).
+[2026-08-19 06:28:38,029] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTVQKWQDAIRQQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIWNPLLGL (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep010_3_20.npz
+[2026-08-19 06:28:38,675] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 06:28:38,809] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 06:28:38,881] [INFO] 伪标签回流: 37 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 296 条）
+[2026-08-19 06:28:39,272] [INFO] [ep 10] Head D 置信度 loss: 0.2515
+[2026-08-19 06:28:39,273] [INFO] [ep 10] alpha=0.994 buffer=220 | wt=MEKSFVITDPRLPDNPVVFW | 9298s
+[2026-08-19 06:28:39,817] [INFO] [ep 10] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:  25%|██▌       | 10/40 [2:34:58<5:30:10, 660.36s/ep, alpha=0.994, buffer=220, crash=Y, wt=MEKSFVIT]
RL post-train:  28%|██▊       | 11/40 [2:34:58<5:50:42, 725.61s/ep, alpha=0.994, buffer=220, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 75 alternate-conformer atoms (1090 -> 1015)
+Removed 28 H(s) to resolve clashes.
+Added 10 Na+ ion(s) to neutralize net charge (-9.619e).
+dedup_altloc: dropped 75 alternate-conformer atoms (1090 -> 1015)
+Removed 28 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.105e).
+[2026-08-19 06:32:51,710] [WARNING] [ep 11] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.0, 260.0, 0.0)
+dedup_altloc: dropped 75 alternate-conformer atoms (1090 -> 1015)
+Removed 28 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.105e).
+[2026-08-19 06:34:10,199] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 06:34:10,915] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 55:K>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1095 -> 1020)
+Removed 28 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.858e) by adding 1 Na+ ion(s).
+[2026-08-19 06:36:33,989] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIRDQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep011_0_20.npz
+[2026-08-19 06:36:34,737] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 62:D>Q
+dedup_altloc: dropped 75 alternate-conformer atoms (1091 -> 1016)
+Removed 30 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-19 06:38:39,160] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQKWQDAIRQQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep011_1_20.npz
+[2026-08-19 06:38:39,897] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 61:R>Q
+dedup_altloc: dropped 75 alternate-conformer atoms (1088 -> 1013)
+Removed 28 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.862e) by adding 1 Na+ ion(s).
+[2026-08-19 06:40:43,936] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQKWQDAIQDQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep011_2_20.npz
+[2026-08-19 06:40:44,719] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 88:P>F
+dedup_altloc: dropped 75 alternate-conformer atoms (1094 -> 1019)
+Removed 32 H(s) to resolve clashes.
+[solvent_reuse] Pruned 10 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.539e) by adding 1 Na+ ion(s).
+[2026-08-19 06:42:46,723] [ERROR] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 205/400 (T=210K, U=1.220e8)
+[2026-08-19 06:42:47,486] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 06:42:47,633] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 06:42:47,680] [INFO] 伪标签回流: 40 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 320 条）
+
RL post-train:  28%|██▊       | 11/40 [2:49:05<5:50:42, 725.61s/ep, alpha=0.993, buffer=240, crash=Y, wt=MEKSFVIT]
RL post-train:  30%|███       | 12/40 [2:49:05<5:55:58, 762.81s/ep, alpha=0.993, buffer=240, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 75 alternate-conformer atoms (1095 -> 1020)
+Removed 28 H(s) to resolve clashes.
+Added 10 Na+ ion(s) to neutralize net charge (-10.243e).
+dedup_altloc: dropped 75 alternate-conformer atoms (1095 -> 1020)
+Removed 28 H(s) to resolve clashes.
+[2026-08-19 06:46:59,744] [WARNING] [ep 12] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.04990254342556, 272.48300528526306, 0.0)
+dedup_altloc: dropped 75 alternate-conformer atoms (1095 -> 1020)
+Removed 28 H(s) to resolve clashes.
+[2026-08-19 06:48:20,043] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 06:48:20,799] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 62:D>Q
+dedup_altloc: dropped 75 alternate-conformer atoms (1096 -> 1021)
+Removed 30 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-19 06:50:24,858] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIRQQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep012_0_20.npz
+[2026-08-19 06:50:25,608] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 62:D>Q;110:V>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1103 -> 1028)
+Removed 30 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 06:52:44,664] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIRQQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIWNPLLGL (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep012_1_20.npz
+[2026-08-19 06:52:45,443] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 06:52:45,615] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 06:52:45,688] [INFO] 伪标签回流: 42 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 336 条）
+
RL post-train:  30%|███       | 12/40 [2:59:03<5:55:58, 762.81s/ep, alpha=0.993, buffer=260, crash=Y, wt=MEKSFVIT]
RL post-train:  32%|███▎      | 13/40 [2:59:03<5:20:47, 712.88s/ep, alpha=0.993, buffer=260, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 75 alternate-conformer atoms (1096 -> 1021)
+Removed 30 H(s) to resolve clashes.
+Added 10 Na+ ion(s) to neutralize net charge (-10.116e).
+dedup_altloc: dropped 75 alternate-conformer atoms (1096 -> 1021)
+Removed 30 H(s) to resolve clashes.
+Added 5 Cl- ion(s) to neutralize net charge (+5.025e).
+[2026-08-19 06:56:59,303] [WARNING] [ep 13] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 263.810227394104, 0.0)
+dedup_altloc: dropped 75 alternate-conformer atoms (1096 -> 1021)
+Removed 30 H(s) to resolve clashes.
+Added 5 Cl- ion(s) to neutralize net charge (+5.025e).
+[2026-08-19 06:58:21,806] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 06:58:22,502] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 61:R>Q
+dedup_altloc: dropped 75 alternate-conformer atoms (1094 -> 1019)
+Removed 28 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-19 07:00:29,822] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep013_0_20.npz
+[2026-08-19 07:00:30,531] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 83:L>F;84:L>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1105 -> 1030)
+Removed 33 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.944e) by adding 1 Na+ ion(s).
+[2026-08-19 07:02:50,073] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIRQQWEWTVQLINYTKSGKKFWNFWHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep013_1_20.npz
+[2026-08-19 07:02:50,909] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 62:Q>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1101 -> 1026)
+Removed 28 H(s) to resolve clashes.
+[solvent_reuse] Pruned 20 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.898e) by adding 1 Cl- ion(s).
+[2026-08-19 07:04:58,969] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIRWQWEWTVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep013_2_20.npz
+[2026-08-19 07:04:59,747] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 07:04:59,901] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 07:04:59,960] [INFO] 伪标签回流: 45 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 360 条）
+
RL post-train:  32%|███▎      | 13/40 [3:11:18<5:20:47, 712.88s/ep, alpha=0.992, buffer=280, crash=Y, wt=MEKSFVIT]
RL post-train:  35%|███▌      | 14/40 [3:11:18<5:11:42, 719.34s/ep, alpha=0.992, buffer=280, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 75 alternate-conformer atoms (1094 -> 1019)
+Removed 28 H(s) to resolve clashes.
+Added 10 Na+ ion(s) to neutralize net charge (-10.210e).
+dedup_altloc: dropped 75 alternate-conformer atoms (1094 -> 1019)
+Removed 28 H(s) to resolve clashes.
+Added 7 Na+ ion(s) to neutralize net charge (-7.312e).
+[2026-08-19 07:09:07,513] [WARNING] [ep 14] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 260.0, 0.0)
+dedup_altloc: dropped 75 alternate-conformer atoms (1094 -> 1019)
+Removed 28 H(s) to resolve clashes.
+Added 7 Na+ ion(s) to neutralize net charge (-7.312e).
+[2026-08-19 07:10:26,128] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 07:10:26,848] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 63:Q>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1099 -> 1024)
+Removed 34 H(s) to resolve clashes.
+dedup_altloc: dropped 75 alternate-conformer atoms (1099 -> 1024)
+Removed 34 H(s) to resolve clashes.
+[2026-08-19 07:10:27,330] [ERROR] 突变构建失败（pred_ca 与 wild 均失败）: Missing bond params for O-CA (atoms #601-#610)
+[2026-08-19 07:10:28,054] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 89:M>F
+dedup_altloc: dropped 71 alternate-conformer atoms (1093 -> 1022)
+Removed 30 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.715e) by adding 1 Na+ ion(s).
+[2026-08-19 07:13:01,426] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLQPFRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep014_0_20.npz
+[2026-08-19 07:13:02,172] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 88:P>F
+dedup_altloc: dropped 75 alternate-conformer atoms (1098 -> 1023)
+Removed 32 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.957e) by adding 1 Na+ ion(s).
+[2026-08-19 07:15:09,635] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLQFMRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep014_1_20.npz
+[2026-08-19 07:15:10,540] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 83:L>W
+dedup_altloc: dropped 75 alternate-conformer atoms (1100 -> 1025)
+Removed 28 H(s) to resolve clashes.
+dedup_altloc: dropped 75 alternate-conformer atoms (1100 -> 1025)
+Removed 28 H(s) to resolve clashes.
+[2026-08-19 07:15:11,047] [ERROR] 突变构建失败（pred_ca 与 wild 均失败）: Missing bond params for O-CA (atoms #794-#802)
+[2026-08-19 07:15:11,667] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 07:15:11,841] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 07:15:11,897] [INFO] 伪标签回流: 47 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 376 条）
+
RL post-train:  35%|███▌      | 14/40 [3:21:30<5:11:42, 719.34s/ep, alpha=0.991, buffer=300, crash=Y, wt=MEKSFVIT]
RL post-train:  38%|███▊      | 15/40 [3:21:30<4:46:14, 686.97s/ep, alpha=0.991, buffer=300, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 71 alternate-conformer atoms (1093 -> 1022)
+Removed 30 H(s) to resolve clashes.
+Added 11 Na+ ion(s) to neutralize net charge (-10.613e).
+dedup_altloc: dropped 71 alternate-conformer atoms (1093 -> 1022)
+Removed 30 H(s) to resolve clashes.
+Added 8 Na+ ion(s) to neutralize net charge (-7.715e).
+[2026-08-19 07:19:21,146] [WARNING] [ep 15] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 260.0, 0.0)
+dedup_altloc: dropped 71 alternate-conformer atoms (1093 -> 1022)
+Removed 30 H(s) to resolve clashes.
+Added 8 Na+ ion(s) to neutralize net charge (-7.715e).
+[2026-08-19 07:20:40,634] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 07:20:41,344] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 88:P>F
+dedup_altloc: dropped 71 alternate-conformer atoms (1097 -> 1026)
+Removed 34 H(s) to resolve clashes.
+[solvent_reuse] Pruned 10 clashing water molecule(s) near mutated residues.
+[2026-08-19 07:23:02,724] [ERROR] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 244/400 (T=231K, U=1.057e8)
+[2026-08-19 07:23:03,567] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 88:P>F
+dedup_altloc: dropped 71 alternate-conformer atoms (1097 -> 1026)
+Removed 34 H(s) to resolve clashes.
+[solvent_reuse] Pruned 10 clashing water molecule(s) near mutated residues.
+[2026-08-19 07:25:21,037] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLQFFRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep015_0_20.npz
+[2026-08-19 07:25:21,784] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 63:Q>W
+dedup_altloc: dropped 71 alternate-conformer atoms (1098 -> 1027)
+Removed 36 H(s) to resolve clashes.
+dedup_altloc: dropped 71 alternate-conformer atoms (1098 -> 1027)
+Removed 36 H(s) to resolve clashes.
+[2026-08-19 07:25:22,339] [ERROR] 突变构建失败（pred_ca 与 wild 均失败）: Missing bond params for O-CA (atoms #601-#610)
+[2026-08-19 07:25:23,048] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 25:L>D
+dedup_altloc: dropped 67 alternate-conformer atoms (1089 -> 1022)
+Removed 28 H(s) to resolve clashes.
+[solvent_reuse] Pruned 10 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.672e) by adding 1 Na+ ion(s).
+[2026-08-19 07:27:33,890] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFDELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLQPFRDQKGELQYFIGVQLDGEFIVNPLLGL (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep015_1_20.npz
+[2026-08-19 07:27:34,670] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 109:I>F
+dedup_altloc: dropped 71 alternate-conformer atoms (1096 -> 1025)
+Removed 30 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 07:29:38,087] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLQPFRDQKGELQYFIGVQLDGEFFVNPLLGL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep015_2_20.npz
+[2026-08-19 07:29:38,741] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 07:29:38,911] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 07:29:38,989] [INFO] 伪标签回流: 50 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 400 条）
+
RL post-train:  38%|███▊      | 15/40 [3:35:57<4:46:14, 686.97s/ep, alpha=0.991, buffer=320, crash=Y, wt=MEKSFVIT]
RL post-train:  40%|████      | 16/40 [3:35:57<4:56:28, 741.19s/ep, alpha=0.991, buffer=320, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 71 alternate-conformer atoms (1097 -> 1026)
+Removed 34 H(s) to resolve clashes.
+Added 11 Na+ ion(s) to neutralize net charge (-11.257e).
+dedup_altloc: dropped 71 alternate-conformer atoms (1097 -> 1026)
+Removed 34 H(s) to resolve clashes.
+Added 1 Na+ ion(s) to neutralize net charge (-0.873e).
+[2026-08-19 07:33:55,707] [WARNING] [ep 16] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.0, 260.0, 0.0)
+dedup_altloc: dropped 71 alternate-conformer atoms (1097 -> 1026)
+Removed 34 H(s) to resolve clashes.
+Added 1 Na+ ion(s) to neutralize net charge (-0.873e).
+[2026-08-19 07:35:15,885] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 07:35:16,795] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 102:V>H;104:L>H
+dedup_altloc: dropped 71 alternate-conformer atoms (1102 -> 1031)
+Removed 36 H(s) to resolve clashes.
+[solvent_reuse] Pruned 9 clashing water molecule(s) near mutated residues.
+[2026-08-19 07:37:35,671] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLQFFRDQKGELQYFIGHQHDGEFIVNPLLGL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep016_0_20.npz
+[2026-08-19 07:37:36,424] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 105:D>Q
+dedup_altloc: dropped 67 alternate-conformer atoms (1094 -> 1027)
+Removed 34 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.115e) by adding 1 Cl- ion(s).
+[2026-08-19 07:39:53,740] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLQFFRDQKGELQYFIGVQLQGEFIVNPLLGL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep016_1_20.npz
+[2026-08-19 07:39:54,548] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 84:L>W;109:I>W
+dedup_altloc: dropped 71 alternate-conformer atoms (1109 -> 1038)
+Removed 40 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.173e) by adding 1 Na+ ion(s).
+[2026-08-19 07:42:18,530] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLWHLQFFRDQKGELQYFIGVQLDGEFWVNPLLGL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep016_2_20.npz
+[2026-08-19 07:42:19,292] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 105:D>Q
+dedup_altloc: dropped 67 alternate-conformer atoms (1094 -> 1027)
+Removed 34 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.115e) by adding 1 Cl- ion(s).
+[2026-08-19 07:44:39,651] [WARNING] 本集重复存活，跳过重复写盘: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLQFFRDQKGELQYFIGVQLQGEFIVNPLLGL
+[2026-08-19 07:44:40,336] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 07:44:40,522] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 07:44:40,579] [INFO] 伪标签回流: 53 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 424 条）
+
RL post-train:  40%|████      | 16/40 [3:50:58<4:56:28, 741.19s/ep, alpha=0.990, buffer=340, crash=Y, wt=MEKSFVIT]
RL post-train:  42%|████▎     | 17/40 [3:50:58<5:02:36, 789.42s/ep, alpha=0.990, buffer=340, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 71 alternate-conformer atoms (1102 -> 1031)
+Removed 36 H(s) to resolve clashes.
+Added 11 Na+ ion(s) to neutralize net charge (-11.310e).
+dedup_altloc: dropped 71 alternate-conformer atoms (1102 -> 1031)
+Removed 36 H(s) to resolve clashes.
+Added 8 Na+ ion(s) to neutralize net charge (-8.413e).
+[2026-08-19 07:48:50,099] [WARNING] [ep 17] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.0, 260.0, 0.0)
+dedup_altloc: dropped 71 alternate-conformer atoms (1102 -> 1031)
+Removed 36 H(s) to resolve clashes.
+Added 8 Na+ ion(s) to neutralize net charge (-8.413e).
+[2026-08-19 07:50:08,084] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 07:50:08,791] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 87:Q>F
+dedup_altloc: dropped 71 alternate-conformer atoms (1104 -> 1033)
+Removed 40 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.971e) by adding 1 Na+ ion(s).
+[2026-08-19 07:52:22,622] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLFFFRDQKGELQYFIGHQHDGEFIVNPLLGL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep017_0_20.npz
+[2026-08-19 07:52:23,336] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 25:L>D;103:Q>H
+dedup_altloc: dropped 67 alternate-conformer atoms (1099 -> 1032)
+Removed 37 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.624e) by adding 2 Na+ ion(s).
+[2026-08-19 07:54:42,469] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFDELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLQFFRDQKGELQYFIGHHHDGEFIVNPLLGL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep017_1_20.npz
+[2026-08-19 07:54:43,240] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 84:L>W;110:V>W
+dedup_altloc: dropped 71 alternate-conformer atoms (1115 -> 1044)
+Removed 37 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.264e) by adding 1 Na+ ion(s).
+[2026-08-19 07:56:58,916] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLWHLQFFRDQKGELQYFIGHQHDGEFIWNPLLGL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep017_2_20.npz
+[2026-08-19 07:56:59,795] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 104:H>Q
+dedup_altloc: dropped 71 alternate-conformer atoms (1101 -> 1030)
+Removed 36 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 07:59:48,353] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLQFFRDQKGELQYFIGHQQDGEFIVNPLLGL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep017_3_20.npz
+[2026-08-19 07:59:49,121] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 25:L>D
+dedup_altloc: dropped 67 alternate-conformer atoms (1098 -> 1031)
+Removed 34 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.369e) by adding 1 Na+ ion(s).
+[2026-08-19 08:02:02,186] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFDELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLQFFRDQKGELQYFIGHQHDGEFIVNPLLGL (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep017_4_20.npz
+[2026-08-19 08:02:02,858] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 08:02:03,096] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 08:02:03,166] [INFO] 伪标签回流: 58 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 464 条）
+
RL post-train:  42%|████▎     | 17/40 [4:08:21<5:02:36, 789.42s/ep, alpha=0.989, buffer=360, crash=Y, wt=MEKSFVIT]
RL post-train:  45%|████▌     | 18/40 [4:08:21<5:17:20, 865.49s/ep, alpha=0.989, buffer=360, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 71 alternate-conformer atoms (1104 -> 1033)
+Removed 40 H(s) to resolve clashes.
+Added 12 Na+ ion(s) to neutralize net charge (-11.869e).
+dedup_altloc: dropped 71 alternate-conformer atoms (1104 -> 1033)
+Removed 40 H(s) to resolve clashes.
+Added 3 Cl- ion(s) to neutralize net charge (+3.271e).
+[2026-08-19 08:06:14,754] [WARNING] [ep 18] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 264.8072476387024, 0.0)
+dedup_altloc: dropped 71 alternate-conformer atoms (1104 -> 1033)
+Removed 40 H(s) to resolve clashes.
+Added 3 Cl- ion(s) to neutralize net charge (+3.271e).
+[2026-08-19 08:07:34,637] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 08:07:35,380] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 25:L>D
+dedup_altloc: dropped 67 alternate-conformer atoms (1100 -> 1033)
+Removed 38 H(s) to resolve clashes.
+[solvent_reuse] Pruned 10 clashing water molecule(s) near mutated residues.
+[2026-08-19 08:09:54,244] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFDELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLFFFRDQKGELQYFIGHQHDGEFIVNPLLGL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep018_0_20.npz
+[2026-08-19 08:09:54,988] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 104:H>Q;105:D>Q
+dedup_altloc: dropped 67 alternate-conformer atoms (1100 -> 1033)
+Removed 40 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-19 08:12:49,566] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLFFFRDQKGELQYFIGHQQQGEFIVNPLLGL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep018_1_20.npz
+[2026-08-19 08:12:50,356] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 8:T>I
+dedup_altloc: dropped 71 alternate-conformer atoms (1105 -> 1034)
+Removed 41 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[2026-08-19 08:15:09,698] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLFFFRDQKGELQYFIGHQHDGEFIVNPLLGL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep018_2_20.npz
+[2026-08-19 08:15:10,451] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:V>W
+dedup_altloc: dropped 71 alternate-conformer atoms (1111 -> 1040)
+Removed 40 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[2026-08-19 08:17:17,094] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLFFFRDQKGELQYFIGHQHDGEFIWNPLLGL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep018_3_20.npz
+[2026-08-19 08:17:17,829] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 105:D>Q
+dedup_altloc: dropped 67 alternate-conformer atoms (1101 -> 1034)
+Removed 40 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-19 08:19:26,719] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLFFFRDQKGELQYFIGHQHQGEFIVNPLLGL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep018_4_20.npz
+[2026-08-19 08:19:27,455] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 75:K>W
+dedup_altloc: dropped 71 alternate-conformer atoms (1109 -> 1038)
+Removed 40 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.729e) by adding 1 Na+ ion(s).
+[2026-08-19 08:21:47,742] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFLELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTWSGKKFWNLLHLFFFRDQKGELQYFIGHQHDGEFIVNPLLGL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep018_5_20.npz
+[2026-08-19 08:21:48,398] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 08:21:48,610] [INFO] 新亲本结构已重建: MEKSFVITDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 08:21:48,690] [INFO] 伪标签回流: 64 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 512 条）
+
RL post-train:  45%|████▌     | 18/40 [4:28:06<5:17:20, 865.49s/ep, alpha=0.989, buffer=380, crash=Y, wt=MEKSFVIT]
RL post-train:  48%|████▊     | 19/40 [4:28:06<5:36:33, 961.61s/ep, alpha=0.989, buffer=380, crash=Y, wt=MEKSFVIT]dedup_altloc: dropped 67 alternate-conformer atoms (1100 -> 1033)
+Removed 38 H(s) to resolve clashes.
+Added 13 Na+ ion(s) to neutralize net charge (-12.826e).
+dedup_altloc: dropped 67 alternate-conformer atoms (1100 -> 1033)
+Removed 38 H(s) to resolve clashes.
+Added 10 Na+ ion(s) to neutralize net charge (-9.928e).
+[2026-08-19 08:26:02,499] [WARNING] [ep 19] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (7.99602472782135, 260.0, 0.0)
+dedup_altloc: dropped 67 alternate-conformer atoms (1100 -> 1033)
+Removed 38 H(s) to resolve clashes.
+Added 10 Na+ ion(s) to neutralize net charge (-9.928e).
+[2026-08-19 08:27:23,028] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 08:27:23,778] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 8:T>I;103:Q>H
+dedup_altloc: dropped 67 alternate-conformer atoms (1102 -> 1035)
+Removed 42 H(s) to resolve clashes.
+[solvent_reuse] Pruned 9 clashing water molecule(s) near mutated residues.
+[2026-08-19 08:29:38,554] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTKSGKKFWNLLHLFFFRDQKGELQYFIGHHHDGEFIVNPLLGL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep019_0_20.npz
+[2026-08-19 08:29:39,294] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 75:K>W
+dedup_altloc: dropped 67 alternate-conformer atoms (1105 -> 1038)
+Removed 38 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.928e) by adding 1 Na+ ion(s).
+[2026-08-19 08:31:52,314] [INFO] 存活突变体: MEKSFVITDPRLPDNPVVFWWWGFDELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTWSGKKFWNLLHLFFFRDQKGELQYFIGHQHDGEFIVNPLLGL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep019_1_20.npz
+[2026-08-19 08:31:53,111] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 8:T>I
+dedup_altloc: dropped 67 alternate-conformer atoms (1101 -> 1034)
+Removed 39 H(s) to resolve clashes.
+[solvent_reuse] Pruned 9 clashing water molecule(s) near mutated residues.
+[2026-08-19 08:34:59,269] [ERROR] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 357/400 (T=260K, U=1.114e8)
+[2026-08-19 08:35:00,025] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 8:T>I
+dedup_altloc: dropped 67 alternate-conformer atoms (1101 -> 1034)
+Removed 39 H(s) to resolve clashes.
+[solvent_reuse] Pruned 9 clashing water molecule(s) near mutated residues.
+[2026-08-19 08:37:36,413] [ERROR] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 296/400 (T=258K, U=1.155e8)
+[2026-08-19 08:37:36,413] [WARNING] [restart-gate] 新增爆炸黑名单 1 项 (equilibrate 爆炸, bucket=neutral): ['8:T>I']
+[2026-08-19 08:37:37,062] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 08:37:37,268] [INFO] 新亲本结构已重建: MEKSFVIIDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 08:37:37,683] [INFO] 伪标签回流: 66 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 528 条）
+
RL post-train:  48%|████▊     | 19/40 [4:43:55<5:36:33, 961.61s/ep, alpha=0.988, buffer=400, crash=Y, wt=MEKSFVII]
RL post-train:  50%|█████     | 20/40 [4:43:55<5:19:16, 957.83s/ep, alpha=0.988, buffer=400, crash=Y, wt=MEKSFVII]dedup_altloc: dropped 67 alternate-conformer atoms (1102 -> 1035)
+Removed 42 H(s) to resolve clashes.
+Added 13 Na+ ion(s) to neutralize net charge (-13.099e).
+dedup_altloc: dropped 67 alternate-conformer atoms (1102 -> 1035)
+Removed 42 H(s) to resolve clashes.
+Added 10 Na+ ion(s) to neutralize net charge (-10.201e).
+[2026-08-19 08:41:52,494] [WARNING] [ep 20] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.058418869972229, 260.0, 0.0)
+dedup_altloc: dropped 67 alternate-conformer atoms (1102 -> 1035)
+Removed 42 H(s) to resolve clashes.
+Added 10 Na+ ion(s) to neutralize net charge (-10.201e).
+[2026-08-19 08:43:13,297] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 08:43:14,010] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 75:K>W
+dedup_altloc: dropped 67 alternate-conformer atoms (1107 -> 1040)
+Removed 42 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.201e) by adding 1 Na+ ion(s).
+[2026-08-19 08:45:18,607] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTWSGKKFWNLLHLFFFRDQKGELQYFIGHHHDGEFIVNPLLGL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep020_0_20.npz
+[2026-08-19 08:45:19,443] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 08:45:19,689] [INFO] 新亲本结构已重建: MEKSFVIIDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 08:45:19,777] [INFO] 伪标签回流: 67 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 536 条）
+[2026-08-19 08:45:19,782] [INFO] [ep 20] Head D 置信度 loss: 0.2439
+[2026-08-19 08:45:19,783] [INFO] [ep 20] alpha=0.987 buffer=420 | wt=MEKSFVIIDPRLPDNPVVFW | 17498s
+[2026-08-19 08:45:20,319] [INFO] [ep 20] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:  50%|█████     | 20/40 [4:51:38<5:19:16, 957.83s/ep, alpha=0.987, buffer=420, crash=Y, wt=MEKSFVII]
RL post-train:  52%|█████▎    | 21/40 [4:51:38<4:16:14, 809.18s/ep, alpha=0.987, buffer=420, crash=Y, wt=MEKSFVII]dedup_altloc: dropped 67 alternate-conformer atoms (1107 -> 1040)
+Removed 42 H(s) to resolve clashes.
+Added 14 Na+ ion(s) to neutralize net charge (-13.759e).
+dedup_altloc: dropped 67 alternate-conformer atoms (1107 -> 1040)
+Removed 42 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+2.041e).
+[2026-08-19 08:49:32,425] [WARNING] [ep 21] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 269.1267886161804, 0.0)
+dedup_altloc: dropped 67 alternate-conformer atoms (1107 -> 1040)
+Removed 42 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+2.041e).
+[2026-08-19 08:50:56,050] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 08:50:56,829] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 74:T>W
+dedup_altloc: dropped 67 alternate-conformer atoms (1114 -> 1047)
+Removed 47 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.653e) by adding 1 Na+ ion(s).
+[2026-08-19 08:53:16,480] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHLFFFRDQKGELQYFIGHHHDGEFIVNPLLGL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep021_0_20.npz
+[2026-08-19 08:53:17,319] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 105:D>Q
+dedup_altloc: dropped 63 alternate-conformer atoms (1104 -> 1041)
+Removed 42 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 08:55:44,255] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYTWSGKKFWNLLHLFFFRDQKGELQYFIGHHHQGEFIVNPLLGL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep021_1_20.npz
+[2026-08-19 08:55:44,995] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 39:N>G
+dedup_altloc: dropped 67 alternate-conformer atoms (1103 -> 1036)
+Removed 42 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[2026-08-19 08:57:38,917] [ERROR] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 185/400 (T=205K, U=1.049e8)
+[2026-08-19 08:57:39,750] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 74:T>W
+dedup_altloc: dropped 67 alternate-conformer atoms (1114 -> 1047)
+Removed 47 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.653e) by adding 1 Na+ ion(s).
+[2026-08-19 08:59:57,371] [WARNING] 本集重复存活，跳过重复写盘: MEKSFVIIDPRLPDNPVVFWWWGFDELTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHLFFFRDQKGELQYFIGHHHDGEFIVNPLLGL
+[2026-08-19 08:59:58,023] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 08:59:58,258] [INFO] 新亲本结构已重建: MEKSFVIIDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 08:59:58,330] [INFO] 伪标签回流: 69 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 552 条）
+
RL post-train:  52%|█████▎    | 21/40 [5:06:16<4:16:14, 809.18s/ep, alpha=0.987, buffer=440, crash=Y, wt=MEKSFVII]
RL post-train:  55%|█████▌    | 22/40 [5:06:16<4:08:57, 829.84s/ep, alpha=0.987, buffer=440, crash=Y, wt=MEKSFVII]dedup_altloc: dropped 67 alternate-conformer atoms (1114 -> 1047)
+Removed 47 H(s) to resolve clashes.
+Added 14 Na+ ion(s) to neutralize net charge (-14.453e).
+dedup_altloc: dropped 67 alternate-conformer atoms (1114 -> 1047)
+Removed 47 H(s) to resolve clashes.
+Added 12 Na+ ion(s) to neutralize net charge (-11.896e).
+[2026-08-19 09:04:10,720] [WARNING] [ep 22] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 260.0, 0.0)
+dedup_altloc: dropped 67 alternate-conformer atoms (1114 -> 1047)
+Removed 47 H(s) to resolve clashes.
+Added 12 Na+ ion(s) to neutralize net charge (-11.896e).
+[2026-08-19 09:05:31,846] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 09:05:32,741] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 26:E>D
+dedup_altloc: dropped 67 alternate-conformer atoms (1113 -> 1046)
+Removed 48 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[2026-08-19 09:07:49,095] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGRNGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHLFFFRDQKGELQYFIGHHHDGEFIVNPLLGL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep022_0_20.npz
+[2026-08-19 09:07:49,742] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 09:07:49,983] [INFO] 新亲本结构已重建: MEKSFVIIDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 09:07:50,065] [INFO] 伪标签回流: 70 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 560 条）
+
RL post-train:  55%|█████▌    | 22/40 [5:14:08<4:08:57, 829.84s/ep, alpha=0.986, buffer=460, crash=Y, wt=MEKSFVII]
RL post-train:  57%|█████▊    | 23/40 [5:14:08<3:24:40, 722.38s/ep, alpha=0.986, buffer=460, crash=Y, wt=MEKSFVII]dedup_altloc: dropped 67 alternate-conformer atoms (1113 -> 1046)
+Removed 48 H(s) to resolve clashes.
+Added 15 Na+ ion(s) to neutralize net charge (-14.556e).
+dedup_altloc: dropped 67 alternate-conformer atoms (1113 -> 1046)
+Removed 48 H(s) to resolve clashes.
+Added 12 Na+ ion(s) to neutralize net charge (-11.998e).
+[2026-08-19 09:12:02,407] [WARNING] [ep 23] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 260.0, 0.0)
+dedup_altloc: dropped 67 alternate-conformer atoms (1113 -> 1046)
+Removed 48 H(s) to resolve clashes.
+Added 12 Na+ ion(s) to neutralize net charge (-11.998e).
+[2026-08-19 09:13:22,181] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 09:13:23,082] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 38:R>G;39:N>G
+dedup_altloc: dropped 60 alternate-conformer atoms (1095 -> 1035)
+Removed 48 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.998e) by adding 1 Na+ ion(s).
+[2026-08-19 09:15:40,966] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHLFFFRDQKGELQYFIGHHHDGEFIVNPLLGL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep023_0_20.npz
+[2026-08-19 09:15:41,631] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 09:15:41,873] [INFO] 新亲本结构已重建: MEKSFVIIDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 09:15:41,952] [INFO] 伪标签回流: 71 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 568 条）
+
RL post-train:  57%|█████▊    | 23/40 [5:22:00<3:24:40, 722.38s/ep, alpha=0.985, buffer=480, crash=Y, wt=MEKSFVII]
RL post-train:  60%|██████    | 24/40 [5:22:00<2:52:35, 647.22s/ep, alpha=0.985, buffer=480, crash=Y, wt=MEKSFVII]dedup_altloc: dropped 60 alternate-conformer atoms (1095 -> 1035)
+Removed 48 H(s) to resolve clashes.
+Added 16 Na+ ion(s) to neutralize net charge (-15.556e).
+dedup_altloc: dropped 60 alternate-conformer atoms (1095 -> 1035)
+Removed 48 H(s) to resolve clashes.
+Added 13 Na+ ion(s) to neutralize net charge (-12.998e).
+[2026-08-19 09:19:55,159] [WARNING] [ep 24] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.121702671051025, 260.0, 0.0)
+dedup_altloc: dropped 60 alternate-conformer atoms (1095 -> 1035)
+Removed 48 H(s) to resolve clashes.
+Added 13 Na+ ion(s) to neutralize net charge (-12.998e).
+[2026-08-19 09:21:14,215] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 09:21:15,018] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:V>P
+dedup_altloc: dropped 60 alternate-conformer atoms (1095 -> 1035)
+Removed 46 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-19 09:23:17,979] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHLFFFRDQKGELQYFIGHHHDGEFIPNPLLGL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep024_0_20.npz
+[2026-08-19 09:23:18,837] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 27:L>D
+dedup_altloc: dropped 60 alternate-conformer atoms (1095 -> 1035)
+Removed 48 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.952e) by adding 1 Na+ ion(s).
+[2026-08-19 09:25:37,107] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDDTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHLFFFRDQKGELQYFIGHHHDGEFIVNPLLGL (steps=20, Q=0.78, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep024_1_20.npz
+[2026-08-19 09:25:37,816] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 09:25:38,052] [INFO] 新亲本结构已重建: MEKSFVIIDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 09:25:38,347] [INFO] 伪标签回流: 73 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 584 条）
+
RL post-train:  60%|██████    | 24/40 [5:31:56<2:52:35, 647.22s/ep, alpha=0.985, buffer=500, crash=Y, wt=MEKSFVII]
RL post-train:  62%|██████▎   | 25/40 [5:31:56<2:37:59, 631.98s/ep, alpha=0.985, buffer=500, crash=Y, wt=MEKSFVII]dedup_altloc: dropped 60 alternate-conformer atoms (1095 -> 1035)
+Removed 46 H(s) to resolve clashes.
+Added 15 Na+ ion(s) to neutralize net charge (-15.437e).
+dedup_altloc: dropped 60 alternate-conformer atoms (1095 -> 1035)
+Removed 46 H(s) to resolve clashes.
+Added 13 Na+ ion(s) to neutralize net charge (-12.880e).
+[2026-08-19 09:29:51,917] [WARNING] [ep 25] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 260.0, 0.0)
+dedup_altloc: dropped 60 alternate-conformer atoms (1095 -> 1035)
+Removed 46 H(s) to resolve clashes.
+Added 13 Na+ ion(s) to neutralize net charge (-12.880e).
+[2026-08-19 09:31:12,568] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 09:31:13,333] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 109:I>P
+dedup_altloc: dropped 60 alternate-conformer atoms (1094 -> 1034)
+Removed 47 H(s) to resolve clashes.
+[solvent_reuse] Pruned 9 clashing water molecule(s) near mutated residues.
+[2026-08-19 09:33:12,000] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHLFFFRDQKGELQYFIGHHHDGEFPPNPLLGL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep025_0_20.npz
+[2026-08-19 09:33:12,610] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 09:33:12,857] [INFO] 新亲本结构已重建: MEKSFVIIDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 09:33:12,961] [INFO] 伪标签回流: 74 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 592 条）
+
RL post-train:  62%|██████▎   | 25/40 [5:39:31<2:37:59, 631.98s/ep, alpha=0.984, buffer=520, crash=Y, wt=MEKSFVII]
RL post-train:  65%|██████▌   | 26/40 [5:39:31<2:15:02, 578.75s/ep, alpha=0.984, buffer=520, crash=Y, wt=MEKSFVII]dedup_altloc: dropped 60 alternate-conformer atoms (1094 -> 1034)
+Removed 47 H(s) to resolve clashes.
+Added 15 Na+ ion(s) to neutralize net charge (-15.476e).
+dedup_altloc: dropped 60 alternate-conformer atoms (1094 -> 1034)
+Removed 47 H(s) to resolve clashes.
+Added 13 Na+ ion(s) to neutralize net charge (-12.919e).
+[2026-08-19 09:37:23,762] [WARNING] [ep 26] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 260.0, 0.0)
+dedup_altloc: dropped 60 alternate-conformer atoms (1094 -> 1034)
+Removed 47 H(s) to resolve clashes.
+Added 13 Na+ ion(s) to neutralize net charge (-12.919e).
+[2026-08-19 09:38:43,259] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+
RL post-train:  65%|██████▌   | 26/40 [5:45:01<2:15:02, 578.75s/ep, alpha=0.984, buffer=540, crash=Y, wt=MEKSFVII]
RL post-train:  68%|██████▊   | 27/40 [5:45:01<1:49:14, 504.22s/ep, alpha=0.984, buffer=540, crash=Y, wt=MEKSFVII]dedup_altloc: dropped 60 alternate-conformer atoms (1094 -> 1034)
+Removed 47 H(s) to resolve clashes.
+Added 13 Na+ ion(s) to neutralize net charge (-12.919e).
+[2026-08-19 09:40:09,085] [WARNING] [ep 27] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.876938939094543, 260.0, 0.0)
+dedup_altloc: dropped 60 alternate-conformer atoms (1094 -> 1034)
+Removed 47 H(s) to resolve clashes.
+Added 13 Na+ ion(s) to neutralize net charge (-12.919e).
+[2026-08-19 09:41:26,015] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 09:41:26,719] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 86:L>F
+dedup_altloc: dropped 56 alternate-conformer atoms (1093 -> 1037)
+Removed 52 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 09:43:41,610] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHFFFFRDQKGELQYFIGHHHDGEFPPNPLLGL (steps=20, Q=0.80, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep027_0_20.npz
+[2026-08-19 09:43:42,353] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 62:Q>W
+dedup_altloc: dropped 60 alternate-conformer atoms (1099 -> 1039)
+Removed 47 H(s) to resolve clashes.
+[solvent_reuse] Pruned 21 clashing water molecule(s) near mutated residues.
+[2026-08-19 09:46:10,163] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQWQWEWTVQLINYWWSGKKFWNLLHLFFFRDQKGELQYFIGHHHDGEFPPNPLLGL (steps=20, Q=0.79, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep027_1_20.npz
+[2026-08-19 09:46:10,926] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:P>W
+dedup_altloc: dropped 60 alternate-conformer atoms (1101 -> 1041)
+Removed 47 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-19 09:48:19,552] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHLFFFRDQKGELQYFIGHHHDGEFPWNPLLGL (steps=20, Q=0.79, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep027_2_20.npz
+[2026-08-19 09:48:20,197] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 09:48:20,447] [INFO] 新亲本结构已重建: MEKSFVIIDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 09:48:20,810] [INFO] 伪标签回流: 77 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 616 条）
+
RL post-train:  68%|██████▊   | 27/40 [5:54:39<1:49:14, 504.22s/ep, alpha=0.983, buffer=560, crash=Y, wt=MEKSFVII]
RL post-train:  70%|███████   | 28/40 [5:54:39<1:45:14, 526.22s/ep, alpha=0.983, buffer=560, crash=Y, wt=MEKSFVII]dedup_altloc: dropped 56 alternate-conformer atoms (1093 -> 1037)
+Removed 52 H(s) to resolve clashes.
+Added 16 Na+ ion(s) to neutralize net charge (-15.916e).
+dedup_altloc: dropped 56 alternate-conformer atoms (1093 -> 1037)
+Removed 52 H(s) to resolve clashes.
+Added 13 Na+ ion(s) to neutralize net charge (-13.358e).
+[2026-08-19 09:52:32,606] [WARNING] [ep 28] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.66942173242569, 260.0, 0.0)
+dedup_altloc: dropped 56 alternate-conformer atoms (1093 -> 1037)
+Removed 52 H(s) to resolve clashes.
+Added 13 Na+ ion(s) to neutralize net charge (-13.358e).
+[2026-08-19 09:53:52,581] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 09:53:53,349] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:P>W
+dedup_altloc: dropped 56 alternate-conformer atoms (1100 -> 1044)
+Removed 52 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-19 09:55:59,804] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHFFFFRDQKGELQYFIGHHHDGEFPWNPLLGL (steps=20, Q=0.79, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep028_0_20.npz
+[2026-08-19 09:56:00,584] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 109:P>W;110:P>W
+dedup_altloc: dropped 56 alternate-conformer atoms (1107 -> 1051)
+Removed 56 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.842e) by adding 1 Na+ ion(s).
+[2026-08-19 09:58:13,117] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHFFFFRDQKGELQYFIGHHHDGEFWWNPLLGL (steps=20, Q=0.81, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep028_1_20.npz
+[2026-08-19 09:58:14,007] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:L>E
+dedup_altloc: dropped 56 alternate-conformer atoms (1094 -> 1038)
+Removed 52 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.195e) by adding 1 Na+ ion(s).
+[2026-08-19 10:00:30,723] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFEQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHFFFFRDQKGELQYFIGHHHDGEFPPNPLLGL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep028_2_20.npz
+[2026-08-19 10:00:31,461] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:P>W
+dedup_altloc: dropped 56 alternate-conformer atoms (1100 -> 1044)
+Removed 52 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-19 10:02:37,568] [WARNING] 本集重复存活，跳过重复写盘: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHFFFFRDQKGELQYFIGHHHDGEFPWNPLLGL
+[2026-08-19 10:02:38,220] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 10:02:38,475] [INFO] 新亲本结构已重建: MEKSFVIIDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 10:02:38,567] [INFO] 伪标签回流: 80 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 640 条）
+
RL post-train:  70%|███████   | 28/40 [6:08:56<1:45:14, 526.22s/ep, alpha=0.982, buffer=580, crash=Y, wt=MEKSFVII]
RL post-train:  72%|███████▎  | 29/40 [6:08:56<1:54:42, 625.69s/ep, alpha=0.982, buffer=580, crash=Y, wt=MEKSFVII]dedup_altloc: dropped 56 alternate-conformer atoms (1100 -> 1044)
+Removed 52 H(s) to resolve clashes.
+Added 16 Na+ ion(s) to neutralize net charge (-15.916e).
+dedup_altloc: dropped 56 alternate-conformer atoms (1100 -> 1044)
+Removed 52 H(s) to resolve clashes.
+Added 13 Na+ ion(s) to neutralize net charge (-13.358e).
+[2026-08-19 10:06:52,293] [WARNING] [ep 29] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 260.0, 0.0)
+dedup_altloc: dropped 56 alternate-conformer atoms (1100 -> 1044)
+Removed 52 H(s) to resolve clashes.
+Added 13 Na+ ion(s) to neutralize net charge (-13.358e).
+[2026-08-19 10:08:11,700] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 10:08:12,452] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 109:P>W;111:N>W
+dedup_altloc: dropped 56 alternate-conformer atoms (1113 -> 1057)
+Removed 60 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.581e) by adding 2 Na+ ion(s).
+[2026-08-19 10:10:16,667] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHFFFFRDQKGELQYFIGHHHDGEFWWWPLLGL (steps=20, Q=0.76, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep029_0_20.npz
+[2026-08-19 10:10:17,426] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 109:P>W
+dedup_altloc: dropped 56 alternate-conformer atoms (1107 -> 1051)
+Removed 56 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.842e) by adding 1 Na+ ion(s).
+[2026-08-19 10:12:43,301] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHFFFFRDQKGELQYFIGHHHDGEFWWNPLLGL (steps=20, Q=0.78, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep029_1_20.npz
+[2026-08-19 10:12:44,062] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:L>E
+dedup_altloc: dropped 56 alternate-conformer atoms (1101 -> 1045)
+Removed 52 H(s) to resolve clashes.
+[solvent_reuse] Pruned 10 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.195e) by adding 1 Na+ ion(s).
+[2026-08-19 10:14:35,503] [ERROR] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 181/400 (T=197K, U=1.165e8)
+[2026-08-19 10:14:36,268] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 27:L>D
+dedup_altloc: dropped 56 alternate-conformer atoms (1100 -> 1044)
+Removed 52 H(s) to resolve clashes.
+[solvent_reuse] Pruned 9 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.313e) by adding 1 Na+ ion(s).
+[2026-08-19 10:17:16,935] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDDTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHFFFFRDQKGELQYFIGHHHDGEFPWNPLLGL (steps=20, Q=0.77, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep029_2_20.npz
+[2026-08-19 10:17:17,596] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 10:17:17,890] [INFO] 新亲本结构已重建: MEKSFVIIDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 10:17:18,009] [INFO] 伪标签回流: 83 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 664 条）
+
RL post-train:  72%|███████▎  | 29/40 [6:23:36<1:54:42, 625.69s/ep, alpha=0.982, buffer=600, crash=Y, wt=MEKSFVII]
RL post-train:  75%|███████▌  | 30/40 [6:23:36<1:56:58, 701.81s/ep, alpha=0.982, buffer=600, crash=Y, wt=MEKSFVII]dedup_altloc: dropped 56 alternate-conformer atoms (1113 -> 1057)
+Removed 60 H(s) to resolve clashes.
+Added 17 Na+ ion(s) to neutralize net charge (-17.138e).
+dedup_altloc: dropped 56 alternate-conformer atoms (1113 -> 1057)
+Removed 62 H(s) to resolve clashes.
+Added 9 Na+ ion(s) to neutralize net charge (-8.507e).
+[2026-08-19 10:21:30,829] [WARNING] [ep 30] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.0, 260.0, 0.0)
+dedup_altloc: dropped 56 alternate-conformer atoms (1113 -> 1057)
+Removed 62 H(s) to resolve clashes.
+Added 9 Na+ ion(s) to neutralize net charge (-8.507e).
+[2026-08-19 10:22:52,182] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 10:22:52,884] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 84:L>W
+dedup_altloc: dropped 56 alternate-conformer atoms (1119 -> 1063)
+Removed 64 H(s) to resolve clashes.
+[solvent_reuse] Pruned 10 clashing water molecule(s) near mutated residues.
+[2026-08-19 10:25:10,883] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHDGEFWWWPLLGL (steps=20, Q=0.80, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep030_0_20.npz
+[2026-08-19 10:25:11,576] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 116:L>Q
+dedup_altloc: dropped 56 alternate-conformer atoms (1114 -> 1058)
+Removed 63 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.555e) by adding 1 Cl- ion(s).
+[2026-08-19 10:27:16,779] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLLHFFFFRDQKGELQYFIGHHHDGEFWWWPLLGQ (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep030_1_20.npz
+[2026-08-19 10:27:17,447] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 10:27:17,778] [INFO] 新亲本结构已重建: MEKSFVIIDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 10:27:17,880] [INFO] 伪标签回流: 85 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 680 条）
+[2026-08-19 10:27:17,886] [INFO] [ep 30] Head D 置信度 loss: 0.2445
+[2026-08-19 10:27:17,886] [INFO] [ep 30] alpha=0.981 buffer=620 | wt=MEKSFVIIDPRLPDNPVVFW | 23616s
+[2026-08-19 10:27:18,437] [INFO] [ep 30] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:  75%|███████▌  | 30/40 [6:33:36<1:56:58, 701.81s/ep, alpha=0.981, buffer=620, crash=Y, wt=MEKSFVII]
RL post-train:  78%|███████▊  | 31/40 [6:33:36<1:40:42, 671.39s/ep, alpha=0.981, buffer=620, crash=Y, wt=MEKSFVII]dedup_altloc: dropped 56 alternate-conformer atoms (1119 -> 1063)
+Removed 62 H(s) to resolve clashes.
+Added 18 Na+ ion(s) to neutralize net charge (-17.910e).
+dedup_altloc: dropped 56 alternate-conformer atoms (1119 -> 1063)
+Removed 62 H(s) to resolve clashes.
+Added 15 Na+ ion(s) to neutralize net charge (-15.353e).
+[2026-08-19 10:31:28,584] [WARNING] [ep 31] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 260.0, 0.0)
+dedup_altloc: dropped 56 alternate-conformer atoms (1119 -> 1063)
+Removed 62 H(s) to resolve clashes.
+Added 15 Na+ ion(s) to neutralize net charge (-15.353e).
+[2026-08-19 10:32:47,205] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 10:32:47,951] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 116:L>Q
+dedup_altloc: dropped 56 alternate-conformer atoms (1120 -> 1064)
+Removed 63 H(s) to resolve clashes.
+[solvent_reuse] Pruned 9 clashing water molecule(s) near mutated residues.
+[2026-08-19 10:34:48,782] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHDGEFWWWPLLGQ (steps=20, Q=0.78, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep031_0_20.npz
+[2026-08-19 10:34:49,566] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 27:L>D
+dedup_altloc: dropped 56 alternate-conformer atoms (1119 -> 1063)
+Removed 62 H(s) to resolve clashes.
+[solvent_reuse] Pruned 8 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.307e) by adding 1 Na+ ion(s).
+[2026-08-19 10:37:06,281] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDDTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHDGEFWWWPLLGL (steps=20, Q=0.77, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep031_1_20.npz
+[2026-08-19 10:37:06,994] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 116:L>Q
+dedup_altloc: dropped 56 alternate-conformer atoms (1120 -> 1064)
+Removed 63 H(s) to resolve clashes.
+[solvent_reuse] Pruned 9 clashing water molecule(s) near mutated residues.
+[2026-08-19 10:39:08,397] [WARNING] 本集重复存活，跳过重复写盘: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHDGEFWWWPLLGQ
+[2026-08-19 10:39:09,024] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 10:39:09,320] [INFO] 新亲本结构已重建: MEKSFVIIDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 10:39:09,411] [INFO] 伪标签回流: 87 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 696 条）
+
RL post-train:  78%|███████▊  | 31/40 [6:45:27<1:40:42, 671.39s/ep, alpha=0.980, buffer=640, crash=Y, wt=MEKSFVII]
RL post-train:  80%|████████  | 32/40 [6:45:27<1:31:06, 683.27s/ep, alpha=0.980, buffer=640, crash=Y, wt=MEKSFVII]dedup_altloc: dropped 56 alternate-conformer atoms (1120 -> 1064)
+Removed 63 H(s) to resolve clashes.
+Added 18 Na+ ion(s) to neutralize net charge (-17.849e).
+dedup_altloc: dropped 56 alternate-conformer atoms (1120 -> 1064)
+Removed 63 H(s) to resolve clashes.
+Added 15 Na+ ion(s) to neutralize net charge (-15.291e).
+[2026-08-19 10:43:22,401] [WARNING] [ep 32] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 260.0, 0.0)
+dedup_altloc: dropped 56 alternate-conformer atoms (1120 -> 1064)
+Removed 63 H(s) to resolve clashes.
+Added 15 Na+ ion(s) to neutralize net charge (-15.291e).
+[2026-08-19 10:44:42,758] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 10:44:43,512] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 105:D>Q
+dedup_altloc: dropped 52 alternate-conformer atoms (1117 -> 1065)
+Removed 63 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.696e) by adding 1 Cl- ion(s).
+[2026-08-19 10:46:59,291] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPLLGQ (steps=20, Q=0.76, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep032_0_20.npz
+[2026-08-19 10:47:00,146] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 17:V>F;18:V>F
+dedup_altloc: dropped 56 alternate-conformer atoms (1128 -> 1072)
+Removed 63 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 10:49:11,893] [INFO] 存活突变体: MEKSFVIIDPRLPDNPFFFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHDGEFWWWPLLGQ (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep032_1_20.npz
+[2026-08-19 10:49:12,619] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 27:L>D
+dedup_altloc: dropped 56 alternate-conformer atoms (1120 -> 1064)
+Removed 63 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.246e) by adding 1 Na+ ion(s).
+[2026-08-19 10:51:31,221] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDDTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHDGEFWWWPLLGQ (steps=20, Q=0.77, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep032_2_20.npz
+[2026-08-19 10:51:31,939] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 10:51:32,229] [INFO] 新亲本结构已重建: MEKSFVIIDPRLPDNPVVFW... (n_res=116)
+[2026-08-19 10:51:32,319] [INFO] 伪标签回流: 90 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 720 条）
+
RL post-train:  80%|████████  | 32/40 [6:57:50<1:31:06, 683.27s/ep, alpha=0.980, buffer=660, crash=Y, wt=MEKSFVII]
RL post-train:  82%|████████▎ | 33/40 [6:57:50<1:21:48, 701.18s/ep, alpha=0.980, buffer=660, crash=Y, wt=MEKSFVII]dedup_altloc: dropped 52 alternate-conformer atoms (1117 -> 1065)
+Removed 63 H(s) to resolve clashes.
+Added 17 Na+ ion(s) to neutralize net charge (-16.861e).
+dedup_altloc: dropped 52 alternate-conformer atoms (1117 -> 1065)
+Removed 63 H(s) to resolve clashes.
+Added 14 Na+ ion(s) to neutralize net charge (-14.304e).
+[2026-08-19 10:55:44,799] [WARNING] [ep 33] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (7.294726610183716, 260.0, 0.0)
+dedup_altloc: dropped 52 alternate-conformer atoms (1117 -> 1065)
+Removed 63 H(s) to resolve clashes.
+Added 14 Na+ ion(s) to neutralize net charge (-14.304e).
+[2026-08-19 10:57:05,027] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 10:57:05,781] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 17:V>F;18:V>F
+dedup_altloc: dropped 52 alternate-conformer atoms (1125 -> 1073)
+Removed 63 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-19 10:59:24,066] [INFO] 存活突变体: MEKSFVIIDPRLPDNPFFFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPLLGQ (steps=20, Q=0.81, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep033_0_20.npz
+[2026-08-19 10:59:24,921] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 27:L>D
+dedup_altloc: dropped 52 alternate-conformer atoms (1117 -> 1065)
+Removed 63 H(s) to resolve clashes.
+[solvent_reuse] Pruned 8 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.258e) by adding 1 Na+ ion(s).
+[2026-08-19 11:01:42,580] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDDTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPLLGQ (steps=20, Q=0.77, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep033_1_20.npz
+[2026-08-19 11:01:43,427] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 114:L>Q
+dedup_altloc: dropped 52 alternate-conformer atoms (1118 -> 1066)
+Removed 64 H(s) to resolve clashes.
+[solvent_reuse] Pruned 9 clashing water molecule(s) near mutated residues.
+[2026-08-19 11:04:00,073] [INFO] 存活突变体: MEKSFVIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPLQGQ (steps=20, Q=0.76, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep033_2_20.npz
+[2026-08-19 11:04:00,805] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 6:V>G
+dedup_altloc: dropped 52 alternate-conformer atoms (1114 -> 1062)
+Removed 63 H(s) to resolve clashes.
+[solvent_reuse] Pruned 8 clashing water molecule(s) near mutated residues.
+[2026-08-19 11:06:36,137] [INFO] 存活突变体: MEKSFGIIDPRLPDNPVVFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPLLGQ (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep033_3_20.npz
+[2026-08-19 11:06:36,795] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 11:06:37,106] [INFO] 新亲本结构已重建: MEKSFVIIDPRLPDNPFFFW... (n_res=116)
+[2026-08-19 11:06:37,256] [INFO] 伪标签回流: 94 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 752 条）
+
RL post-train:  82%|████████▎ | 33/40 [7:12:55<1:21:48, 701.18s/ep, alpha=0.979, buffer=680, crash=Y, wt=MEKSFVII]
RL post-train:  85%|████████▌ | 34/40 [7:12:55<1:16:13, 762.29s/ep, alpha=0.979, buffer=680, crash=Y, wt=MEKSFVII]dedup_altloc: dropped 52 alternate-conformer atoms (1125 -> 1073)
+Removed 63 H(s) to resolve clashes.
+Added 17 Na+ ion(s) to neutralize net charge (-16.806e).
+dedup_altloc: dropped 52 alternate-conformer atoms (1125 -> 1073)
+Removed 63 H(s) to resolve clashes.
+Added 14 Na+ ion(s) to neutralize net charge (-14.248e).
+[2026-08-19 11:10:52,307] [WARNING] [ep 34] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 260.0, 0.0)
+dedup_altloc: dropped 52 alternate-conformer atoms (1125 -> 1073)
+Removed 63 H(s) to resolve clashes.
+Added 14 Na+ ion(s) to neutralize net charge (-14.248e).
+[2026-08-19 11:12:13,120] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 11:12:13,817] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 27:L>D
+dedup_altloc: dropped 52 alternate-conformer atoms (1125 -> 1073)
+Removed 63 H(s) to resolve clashes.
+[solvent_reuse] Pruned 10 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.202e) by adding 1 Na+ ion(s).
+[2026-08-19 11:14:35,295] [INFO] 存活突变体: MEKSFVIIDPRLPDNPFFFWWWGFDDDTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPLLGQ (steps=20, Q=0.78, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep034_0_20.npz
+[2026-08-19 11:14:36,169] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 27:L>D
+dedup_altloc: dropped 52 alternate-conformer atoms (1125 -> 1073)
+Removed 63 H(s) to resolve clashes.
+[solvent_reuse] Pruned 10 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.202e) by adding 1 Na+ ion(s).
+[2026-08-19 11:16:57,195] [WARNING] 本集重复存活，跳过重复写盘: MEKSFVIIDPRLPDNPFFFWWWGFDDDTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPLLGQ
+[2026-08-19 11:16:57,988] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 113:L>Q
+dedup_altloc: dropped 52 alternate-conformer atoms (1126 -> 1074)
+Removed 63 H(s) to resolve clashes.
+[solvent_reuse] Pruned 10 clashing water molecule(s) near mutated residues.
+[2026-08-19 11:19:11,124] [INFO] 存活突变体: MEKSFVIIDPRLPDNPFFFWWWGFDDLTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPQLGQ (steps=20, Q=0.75, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep034_1_20.npz
+[2026-08-19 11:19:11,832] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 11:19:12,169] [INFO] 新亲本结构已重建: MEKSFVIIDPRLPDNPFFFW... (n_res=116)
+[2026-08-19 11:19:12,781] [INFO] 伪标签回流: 96 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 768 条）
+
RL post-train:  85%|████████▌ | 34/40 [7:25:31<1:16:13, 762.29s/ep, alpha=0.979, buffer=700, crash=Y, wt=MEKSFVII]
RL post-train:  88%|████████▊ | 35/40 [7:25:31<1:03:21, 760.26s/ep, alpha=0.979, buffer=700, crash=Y, wt=MEKSFVII]dedup_altloc: dropped 52 alternate-conformer atoms (1125 -> 1073)
+Removed 63 H(s) to resolve clashes.
+Added 18 Na+ ion(s) to neutralize net charge (-17.760e).
+dedup_altloc: dropped 52 alternate-conformer atoms (1125 -> 1073)
+Removed 63 H(s) to resolve clashes.
+Added 15 Na+ ion(s) to neutralize net charge (-15.202e).
+[2026-08-19 11:23:26,956] [WARNING] [ep 35] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 260.0, 0.0)
+dedup_altloc: dropped 52 alternate-conformer atoms (1125 -> 1073)
+Removed 63 H(s) to resolve clashes.
+Added 15 Na+ ion(s) to neutralize net charge (-15.202e).
+[2026-08-19 11:24:47,995] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 11:24:48,762] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 113:L>Q
+dedup_altloc: dropped 52 alternate-conformer atoms (1126 -> 1074)
+Removed 63 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 11:27:02,450] [INFO] 存活突变体: MEKSFVIIDPRLPDNPFFFWWWGFDDDTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPQLGQ (steps=20, Q=0.77, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep035_0_20.npz
+[2026-08-19 11:27:03,336] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 6:V>G
+dedup_altloc: dropped 52 alternate-conformer atoms (1122 -> 1070)
+Removed 63 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 11:29:22,611] [INFO] 存活突变体: MEKSFGIIDPRLPDNPFFFWWWGFDDDTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPLLGQ (steps=20, Q=0.80, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep035_1_20.npz
+[2026-08-19 11:29:23,348] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 6:V>G;7:I>D
+dedup_altloc: dropped 52 alternate-conformer atoms (1122 -> 1070)
+Removed 64 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.232e) by adding 1 Na+ ion(s).
+[2026-08-19 11:31:41,222] [INFO] 存活突变体: MEKSFGDIDPRLPDNPFFFWWWGFDDDTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPLLGQ (steps=20, Q=0.80, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep035_2_20.npz
+[2026-08-19 11:31:41,993] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 113:L>Q
+dedup_altloc: dropped 52 alternate-conformer atoms (1126 -> 1074)
+Removed 63 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 11:33:36,860] [ERROR] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 201/400 (T=208K, U=1.134e8)
+[2026-08-19 11:33:37,656] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 11:33:38,000] [INFO] 新亲本结构已重建: MEKSFVIIDPRLPDNPFFFW... (n_res=116)
+[2026-08-19 11:33:38,138] [INFO] 伪标签回流: 99 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 792 条）
+
RL post-train:  88%|████████▊ | 35/40 [7:39:56<1:03:21, 760.26s/ep, alpha=0.978, buffer=720, crash=Y, wt=MEKSFVII]
RL post-train:  90%|█████████ | 36/40 [7:39:56<52:47, 791.79s/ep, alpha=0.978, buffer=720, crash=Y, wt=MEKSFVII]  dedup_altloc: dropped 52 alternate-conformer atoms (1126 -> 1074)
+Removed 63 H(s) to resolve clashes.
+Added 18 Na+ ion(s) to neutralize net charge (-17.760e).
+dedup_altloc: dropped 52 alternate-conformer atoms (1126 -> 1074)
+Removed 63 H(s) to resolve clashes.
+Added 15 Na+ ion(s) to neutralize net charge (-15.202e).
+[2026-08-19 11:37:54,028] [WARNING] [ep 36] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 260.0, 0.0)
+dedup_altloc: dropped 52 alternate-conformer atoms (1126 -> 1074)
+Removed 63 H(s) to resolve clashes.
+Added 15 Na+ ion(s) to neutralize net charge (-15.202e).
+[2026-08-19 11:39:13,283] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 11:39:13,985] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 6:V>G
+dedup_altloc: dropped 52 alternate-conformer atoms (1123 -> 1071)
+Removed 63 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 11:41:32,519] [INFO] 存活突变体: MEKSFGIIDPRLPDNPFFFWWWGFDDDTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPQLGQ (steps=20, Q=0.80, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep036_0_20.npz
+[2026-08-19 11:41:33,212] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 7:I>D
+dedup_altloc: dropped 52 alternate-conformer atoms (1126 -> 1074)
+Removed 64 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.232e) by adding 1 Na+ ion(s).
+[2026-08-19 11:43:52,014] [INFO] 存活突变体: MEKSFVDIDPRLPDNPFFFWWWGFDDDTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPQLGQ (steps=20, Q=0.77, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep036_1_20.npz
+[2026-08-19 11:43:52,943] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 114:L>Q
+dedup_altloc: dropped 52 alternate-conformer atoms (1127 -> 1075)
+Removed 64 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 11:46:04,270] [INFO] 存活突变体: MEKSFVIIDPRLPDNPFFFWWWGFDDDTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPQQGQ (steps=20, Q=0.78, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep036_2_20.npz
+[2026-08-19 11:46:05,020] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 7:I>D
+dedup_altloc: dropped 52 alternate-conformer atoms (1126 -> 1074)
+Removed 64 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.232e) by adding 1 Na+ ion(s).
+[2026-08-19 11:48:07,184] [ERROR] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 208/400 (T=211K, U=1.063e8)
+[2026-08-19 11:48:07,815] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 11:48:08,157] [INFO] 新亲本结构已重建: MEKSFGIIDPRLPDNPFFFW... (n_res=116)
+[2026-08-19 11:48:08,741] [INFO] 伪标签回流: 102 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 816 条）
+
RL post-train:  90%|█████████ | 36/40 [7:54:27<52:47, 791.79s/ep, alpha=0.977, buffer=740, crash=Y, wt=MEKSFGII]
RL post-train:  92%|█████████▎| 37/40 [7:54:27<40:46, 815.44s/ep, alpha=0.977, buffer=740, crash=Y, wt=MEKSFGII]dedup_altloc: dropped 52 alternate-conformer atoms (1123 -> 1071)
+Removed 63 H(s) to resolve clashes.
+Added 18 Na+ ion(s) to neutralize net charge (-17.760e).
+dedup_altloc: dropped 52 alternate-conformer atoms (1123 -> 1071)
+Removed 63 H(s) to resolve clashes.
+Added 15 Na+ ion(s) to neutralize net charge (-15.202e).
+[2026-08-19 11:52:19,806] [WARNING] [ep 37] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 260.0, 0.0)
+dedup_altloc: dropped 52 alternate-conformer atoms (1123 -> 1071)
+Removed 63 H(s) to resolve clashes.
+Added 15 Na+ ion(s) to neutralize net charge (-15.202e).
+[2026-08-19 11:53:37,768] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 11:53:38,589] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 114:L>Q
+dedup_altloc: dropped 52 alternate-conformer atoms (1124 -> 1072)
+Removed 64 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-19 11:55:52,731] [INFO] 存活突变体: MEKSFGIIDPRLPDNPFFFWWWGFDDDTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPQQGQ (steps=20, Q=0.77, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep037_0_20.npz
+[2026-08-19 11:55:53,449] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 7:I>D
+dedup_altloc: dropped 52 alternate-conformer atoms (1123 -> 1071)
+Removed 64 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.232e) by adding 1 Na+ ion(s).
+[2026-08-19 11:58:09,008] [INFO] 存活突变体: MEKSFGDIDPRLPDNPFFFWWWGFDDDTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPQLGQ (steps=20, Q=0.77, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep037_1_20.npz
+[2026-08-19 11:58:09,673] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 11:58:10,060] [INFO] 新亲本结构已重建: MEKSFGIIDPRLPDNPFFFW... (n_res=116)
+[2026-08-19 11:58:10,177] [INFO] 伪标签回流: 104 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 832 条）
+
RL post-train:  92%|█████████▎| 37/40 [8:04:28<40:46, 815.44s/ep, alpha=0.977, buffer=760, crash=Y, wt=MEKSFGII]
RL post-train:  95%|█████████▌| 38/40 [8:04:28<25:02, 751.24s/ep, alpha=0.977, buffer=760, crash=Y, wt=MEKSFGII]dedup_altloc: dropped 52 alternate-conformer atoms (1124 -> 1072)
+Removed 64 H(s) to resolve clashes.
+Added 18 Na+ ion(s) to neutralize net charge (-17.738e).
+dedup_altloc: dropped 52 alternate-conformer atoms (1124 -> 1072)
+Removed 64 H(s) to resolve clashes.
+Added 15 Na+ ion(s) to neutralize net charge (-15.180e).
+[2026-08-19 12:02:22,683] [WARNING] [ep 38] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 260.0, 0.0)
+dedup_altloc: dropped 52 alternate-conformer atoms (1124 -> 1072)
+Removed 64 H(s) to resolve clashes.
+Added 15 Na+ ion(s) to neutralize net charge (-15.180e).
+[2026-08-19 12:03:46,455] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 12:03:47,365] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 7:I>D
+dedup_altloc: dropped 52 alternate-conformer atoms (1124 -> 1072)
+Removed 65 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.209e) by adding 1 Na+ ion(s).
+[2026-08-19 12:06:04,560] [INFO] 存活突变体: MEKSFGDIDPRLPDNPFFFWWWGFDDDTEYSREWWLGGGGRFLQGPETWWWTWQWWQDAIQQQWEWTVQLINYWWSGKKFWNLWHFFFFRDQKGELQYFIGHHHQGEFWWWPQQGQ (steps=20, Q=0.78, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_7qf3_ep038_0_20.npz
+[2026-08-19 12:06:05,193] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 12:06:05,540] [INFO] 新亲本结构已重建: MEKSFGDIDPRLPDNPFFFW... (n_res=116)
+[2026-08-19 12:06:05,654] [INFO] 伪标签回流: 105 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 840 条）
+
RL post-train:  95%|█████████▌| 38/40 [8:12:23<25:02, 751.24s/ep, alpha=0.976, buffer=780, crash=Y, wt=MEKSFGDI]
RL post-train:  98%|█████████▊| 39/40 [8:12:23<11:08, 668.50s/ep, alpha=0.976, buffer=780, crash=Y, wt=MEKSFGDI]dedup_altloc: dropped 52 alternate-conformer atoms (1124 -> 1072)
+Removed 65 H(s) to resolve clashes.
+Added 19 Na+ ion(s) to neutralize net charge (-18.767e).
+dedup_altloc: dropped 52 alternate-conformer atoms (1124 -> 1072)
+Removed 65 H(s) to resolve clashes.
+Added 16 Na+ ion(s) to neutralize net charge (-16.209e).
+[2026-08-19 12:10:18,622] [WARNING] [ep 39] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.407432079315186, 260.0, 0.0)
+dedup_altloc: dropped 52 alternate-conformer atoms (1124 -> 1072)
+Removed 65 H(s) to resolve clashes.
+Added 16 Na+ ion(s) to neutralize net charge (-16.209e).
+[2026-08-19 12:11:37,907] [INFO] 父引擎就绪（溶剂复用路径，116 aa）
+[2026-08-19 12:11:38,923] [INFO] [ep 39] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:  98%|█████████▊| 39/40 [8:17:57<11:08, 668.50s/ep, alpha=0.976, buffer=800, crash=Y, wt=MEKSFGDI]
RL post-train: 100%|██████████| 40/40 [8:17:57<00:00, 567.93s/ep, alpha=0.976, buffer=800, crash=Y, wt=MEKSFGDI]
RL post-train: 100%|██████████| 40/40 [8:17:57<00:00, 746.93s/ep, alpha=0.976, buffer=800, crash=Y, wt=MEKSFGDI]
+2026-08-19 12:12:08.689252: I external/local_xla/xla/tsl/cuda/cudart_stub.cc:31] Could not find cuda drivers on your machine, GPU will not be used.
+2026-08-19 12:12:08.850594: I tensorflow/core/platform/cpu_feature_guard.cc:210] This TensorFlow binary is optimized to use available CPU instructions in performance-critical operations.
+To enable the following instructions: AVX2 FMA, in other operations, rebuild TensorFlow with the appropriate compiler flags.
+2026-08-19 12:12:52.130736: I external/local_xla/xla/tsl/cuda/cudart_stub.cc:31] Could not find cuda drivers on your machine, GPU will not be used.
+[2026-08-19 12:13:21,276] [INFO] 数据管线初始结构: KVFGRCELAAAMKRHGLDNYRGYSLGNWVC... n_res=129
+[2026-08-19 12:13:21,362] [INFO] [自检] reward归一化: True | reward±10clip: True | clampA+B: True | place_sidechain: True | pred_ca默认: True
+[2026-08-19 12:13:21,362] [INFO] [自检] sac防护: u_hist归一化: True | 输入清洗: True | y/q clip: True | q clip: True | y兜底: True | NaN梯度置零: True
+dedup_altloc: dropped 122 alternate-conformer atoms (1115 -> 993)
+Added 6 Cl- ion(s) to neutralize net charge (+5.621e).
+[2026-08-19 12:16:03,382] [INFO] 快筛通过: U=-765690.8 kcal/mol，进入双路探索
+2026-08-19 12:16:03.476322: E external/local_xla/xla/stream_executor/cuda/cuda_platform.cc:51] failed call to cuInit: INTERNAL: CUDA error: Failed call to cuInit: UNKNOWN ERROR (303)
+/public/home/redelectricity/miniconda3/envs/spice/lib/python3.12/site-packages/keras/src/saving/saving_lib.py:685: UserWarning: A total of 3 objects could not be loaded. Example error message for object <Dense name=head_b_mutation, built=True>:
+
+Layer 'head_b_mutation' expected 2 variables, but received 0 variables during loading. Expected: ['kernel', 'bias']
+
+List of objects that could not be loaded:
+[<Dense name=head_b_mutation, built=True>, <Dense name=head_c_env_offset, built=True>, <Dense name=head_d_confidence, built=True>]
+  warnings.warn(msg)
+[2026-08-19 12:16:08,410] [INFO] 已加载 Pre-train 权重: checkpoints/pretrain/best_weights.weights.h5
+
RL post-train:   0%|          | 0/40 [00:00<?, ?ep/s]dedup_altloc: dropped 122 alternate-conformer atoms (1115 -> 993)
+Added 6 Cl- ion(s) to neutralize net charge (+5.621e).
+[2026-08-19 12:18:59,043] [INFO] [anchor] m5 基线: 0.130
+dedup_altloc: dropped 122 alternate-conformer atoms (1115 -> 993)
+Added 3 Cl- ion(s) to neutralize net charge (+2.725e).
+dedup_altloc: dropped 122 alternate-conformer atoms (1115 -> 993)
+Added 6 Cl- ion(s) to neutralize net charge (+5.621e).
+dedup_altloc: dropped 122 alternate-conformer atoms (1115 -> 993)
+Added 14 Cl- ion(s) to neutralize net charge (+14.353e).
+dedup_altloc: dropped 122 alternate-conformer atoms (1115 -> 993)
+Added 6 Cl- ion(s) to neutralize net charge (+5.621e).
+[2026-08-19 12:27:10,879] [WARNING] [ep 0] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.073201894760132, 297.04776564240456, 0.0)
+dedup_altloc: dropped 122 alternate-conformer atoms (1115 -> 993)
+Added 6 Cl- ion(s) to neutralize net charge (+5.621e).
+[2026-08-19 12:28:29,403] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 12:28:30,228] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:A>H
+dedup_altloc: dropped 122 alternate-conformer atoms (1120 -> 998)
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-19 12:30:22,716] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVHWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep000_0_20.npz
+[2026-08-19 12:30:23,649] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 33:K>H
+dedup_altloc: dropped 122 alternate-conformer atoms (1116 -> 994)
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.379e) by adding 1 Na+ ion(s).
+[2026-08-19 12:32:17,794] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAHFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep000_1_20.npz
+[2026-08-19 12:32:18,489] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 12:32:18,520] [INFO] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 12:32:18,635] [INFO] 伪标签回流: 107 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 856 条）
+[2026-08-19 12:32:18,639] [INFO] [ep 0] alpha=0.999 buffer=40 | wt=KVFGRCELAAAMKRHGLDNY | 970s
+[2026-08-19 12:32:21,748] [INFO] [ep 0] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:   0%|          | 0/40 [16:13<?, ?ep/s, alpha=0.999, buffer=40, crash=Y, wt=KVFGRCEL]
RL post-train:   2%|▎         | 1/40 [16:13<10:32:27, 973.00s/ep, alpha=0.999, buffer=40, crash=Y, wt=KVFGRCEL]dedup_altloc: dropped 122 alternate-conformer atoms (1120 -> 998)
+Added 3 Cl- ion(s) to neutralize net charge (+2.725e).
+dedup_altloc: dropped 122 alternate-conformer atoms (1120 -> 998)
+Added 14 Cl- ion(s) to neutralize net charge (+14.353e).
+dedup_altloc: dropped 122 alternate-conformer atoms (1120 -> 998)
+Added 14 Cl- ion(s) to neutralize net charge (+14.353e).
+dedup_altloc: dropped 122 alternate-conformer atoms (1120 -> 998)
+Added 14 Cl- ion(s) to neutralize net charge (+14.353e).
+[2026-08-19 12:40:21,592] [WARNING] [ep 1] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0813596546649933, 307.71184238791466, 0.0)
+dedup_altloc: dropped 122 alternate-conformer atoms (1120 -> 998)
+Added 14 Cl- ion(s) to neutralize net charge (+14.353e).
+[2026-08-19 12:41:38,291] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 12:41:39,071] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 109:V>G
+dedup_altloc: dropped 119 alternate-conformer atoms (1114 -> 995)
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-19 12:43:28,557] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGHWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep001_0_20.npz
+[2026-08-19 12:43:29,343] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 12:43:29,408] [INFO] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 12:43:29,583] [INFO] 伪标签回流: 108 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 864 条）
+
RL post-train:   2%|▎         | 1/40 [27:20<10:32:27, 973.00s/ep, alpha=0.998, buffer=80, crash=Y, wt=KVFGRCEL]
RL post-train:   5%|▌         | 2/40 [27:20<8:22:32, 793.50s/ep, alpha=0.998, buffer=80, crash=Y, wt=KVFGRCEL] dedup_altloc: dropped 119 alternate-conformer atoms (1114 -> 995)
+Added 3 Cl- ion(s) to neutralize net charge (+2.725e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1114 -> 995)
+Added 6 Cl- ion(s) to neutralize net charge (+5.621e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1114 -> 995)
+Added 14 Cl- ion(s) to neutralize net charge (+14.353e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1114 -> 995)
+Added 14 Cl- ion(s) to neutralize net charge (+14.353e).
+[2026-08-19 12:51:26,429] [WARNING] [ep 2] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (3.2817824482917786, 312.24882766604424, 0.0)
+dedup_altloc: dropped 119 alternate-conformer atoms (1114 -> 995)
+Added 14 Cl- ion(s) to neutralize net charge (+14.353e).
+[2026-08-19 12:52:42,298] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:   5%|▌         | 2/40 [36:33<8:22:32, 793.50s/ep, alpha=0.998, buffer=120, crash=Y, wt=KVFGRCEL]
RL post-train:   8%|▊         | 3/40 [36:33<7:01:31, 683.57s/ep, alpha=0.998, buffer=120, crash=Y, wt=KVFGRCEL]dedup_altloc: dropped 119 alternate-conformer atoms (1114 -> 995)
+Added 6 Cl- ion(s) to neutralize net charge (+5.621e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1114 -> 995)
+Added 14 Cl- ion(s) to neutralize net charge (+14.353e).
+[2026-08-19 12:55:27,418] [WARNING] [ep 3] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.7300487756729126, 330.0, 0.0)
+dedup_altloc: dropped 119 alternate-conformer atoms (1114 -> 995)
+Added 14 Cl- ion(s) to neutralize net charge (+14.353e).
+[2026-08-19 12:56:42,020] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 12:56:42,817] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 33:K>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1119 -> 1000)
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.959e) by adding 1 Na+ ion(s).
+[2026-08-19 12:58:59,848] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAWFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGHWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep003_0_20.npz
+[2026-08-19 12:59:00,741] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 39:N>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1120 -> 1001)
+Removed 3 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 13:01:03,194] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFWTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGHWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep003_1_20.npz
+[2026-08-19 13:01:03,870] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 13:01:03,920] [INFO] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 13:01:04,062] [INFO] 伪标签回流: 110 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 880 条）
+
RL post-train:   8%|▊         | 3/40 [44:55<7:01:31, 683.57s/ep, alpha=0.997, buffer=160, crash=Y, wt=KVFGRCEL]
RL post-train:  10%|█         | 4/40 [44:55<6:07:04, 611.78s/ep, alpha=0.997, buffer=160, crash=Y, wt=KVFGRCEL]dedup_altloc: dropped 119 alternate-conformer atoms (1119 -> 1000)
+Added 2 Cl- ion(s) to neutralize net charge (+1.754e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1119 -> 1000)
+Added 6 Cl- ion(s) to neutralize net charge (+6.224e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1119 -> 1000)
+Added 13 Cl- ion(s) to neutralize net charge (+13.041e).
+[2026-08-19 13:07:47,532] [WARNING] [ep 4] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 119 alternate-conformer atoms (1119 -> 1000)
+Added 13 Cl- ion(s) to neutralize net charge (+13.041e).
+[2026-08-19 13:09:25,948] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 13:09:26,749] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 47:T>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1126 -> 1007)
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-19 13:11:19,121] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAWFESNFNTQATNRNWDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGHWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep004_0_20.npz
+[2026-08-19 13:11:19,916] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 47:T>W;48:D>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1132 -> 1013)
+[solvent_reuse] Pruned 25 clashing water molecule(s) near mutated residues.
+[2026-08-19 13:13:15,710] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAWFESNFNTQATNRNWWGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGHWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep004_1_20.npz
+[2026-08-19 13:13:16,488] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:H>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1123 -> 1004)
+Removed 1 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-19 13:15:16,653] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAWFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGWWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep004_2_20.npz
+[2026-08-19 13:15:17,333] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 13:15:17,384] [INFO] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 13:15:17,493] [INFO] 伪标签回流: 113 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 904 条）
+
RL post-train:  10%|█         | 4/40 [59:08<6:07:04, 611.78s/ep, alpha=0.996, buffer=200, crash=Y, wt=KVFGRCEL]
RL post-train:  12%|█▎        | 5/40 [59:08<6:47:42, 698.92s/ep, alpha=0.996, buffer=200, crash=Y, wt=KVFGRCEL]dedup_altloc: dropped 119 alternate-conformer atoms (1126 -> 1007)
+Added 2 Cl- ion(s) to neutralize net charge (+1.754e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1126 -> 1007)
+Added 13 Cl- ion(s) to neutralize net charge (+13.041e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1126 -> 1007)
+Added 13 Cl- ion(s) to neutralize net charge (+13.041e).
+[2026-08-19 13:22:28,899] [WARNING] [ep 5] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 329.8161846399307, 0.0)
+dedup_altloc: dropped 119 alternate-conformer atoms (1126 -> 1007)
+Added 13 Cl- ion(s) to neutralize net charge (+13.041e).
+[2026-08-19 13:23:48,460] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 13:23:49,256] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 48:D>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1132 -> 1013)
+[solvent_reuse] Pruned 19 clashing water molecule(s) near mutated residues.
+[2026-08-19 13:26:18,094] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAWFESNFNTQATNRNWWGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGHWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep005_0_20.npz
+[2026-08-19 13:26:18,913] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 17:L>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1132 -> 1013)
+Removed 3 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-19 13:28:25,611] [INFO] 存活突变体: KVFGRCELAAAMKRHGWDNYRGYSLGNWVCAAWFESNFNTQATNRNWDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGHWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep005_1_20.npz
+[2026-08-19 13:28:26,506] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:H>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1130 -> 1011)
+Removed 1 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 13:30:34,712] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAWFESNFNTQATNRNWDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGWWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep005_2_20.npz
+[2026-08-19 13:30:35,539] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 48:D>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1132 -> 1013)
+[solvent_reuse] Pruned 19 clashing water molecule(s) near mutated residues.
+[2026-08-19 13:32:52,634] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAWFESNFNTQATNRNWWGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGHWRNRCKGTDVQAWIRGCRL
+[2026-08-19 13:32:53,496] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:H>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1130 -> 1011)
+Removed 1 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 13:34:56,443] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAWFESNFNTQATNRNWDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGWWRNRCKGTDVQAWIRGCRL
+[2026-08-19 13:34:57,145] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 13:34:57,213] [INFO] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 13:34:57,706] [INFO] 伪标签回流: 116 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 928 条）
+
RL post-train:  12%|█▎        | 5/40 [1:18:48<6:47:42, 698.92s/ep, alpha=0.995, buffer=240, crash=Y, wt=KVFGRCEL]
RL post-train:  15%|█▌        | 6/40 [1:18:48<8:08:47, 862.57s/ep, alpha=0.995, buffer=240, crash=Y, wt=KVFGRCEL]dedup_altloc: dropped 119 alternate-conformer atoms (1132 -> 1013)
+Added 3 Cl- ion(s) to neutralize net charge (+2.741e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1132 -> 1013)
+Added 5 Cl- ion(s) to neutralize net charge (+5.297e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1132 -> 1013)
+Added 13 Cl- ion(s) to neutralize net charge (+13.090e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1132 -> 1013)
+Added 7 Cl- ion(s) to neutralize net charge (+7.212e).
+[2026-08-19 13:43:23,538] [WARNING] [ep 6] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.0, 330.0, 0.0)
+dedup_altloc: dropped 119 alternate-conformer atoms (1132 -> 1013)
+Added 7 Cl- ion(s) to neutralize net charge (+7.212e).
+[2026-08-19 13:44:46,009] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 13:44:46,889] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1140 -> 1021)
+Removed 4 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[2026-08-19 13:46:55,696] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAWFESNFNTQATNRNWWGWTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGHWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.86, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep006_0_20.npz
+[2026-08-19 13:46:56,623] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 17:L>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1138 -> 1019)
+Removed 3 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[2026-08-19 13:49:01,760] [INFO] 存活突变体: KVFGRCELAAAMKRHGWDNYRGYSLGNWVCAAWFESNFNTQATNRNWWGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGHWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep006_1_20.npz
+[2026-08-19 13:49:02,603] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1140 -> 1021)
+Removed 4 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[2026-08-19 13:51:14,154] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAWFESNFNTQATNRNWWGWTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGHWRNRCKGTDVQAWIRGCRL
+[2026-08-19 13:51:14,876] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 13:51:14,949] [INFO] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 13:51:15,069] [INFO] 伪标签回流: 118 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 944 条）
+
RL post-train:  15%|█▌        | 6/40 [1:35:06<8:08:47, 862.57s/ep, alpha=0.994, buffer=280, crash=Y, wt=KVFGRCEL]
RL post-train:  18%|█▊        | 7/40 [1:35:06<8:15:02, 900.09s/ep, alpha=0.994, buffer=280, crash=Y, wt=KVFGRCEL]dedup_altloc: dropped 119 alternate-conformer atoms (1140 -> 1021)
+Removed 4 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+2.213e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1140 -> 1021)
+Removed 4 H(s) to resolve clashes.
+Added 13 Cl- ion(s) to neutralize net charge (+12.561e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1140 -> 1021)
+Removed 4 H(s) to resolve clashes.
+Added 13 Cl- ion(s) to neutralize net charge (+12.561e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1140 -> 1021)
+Removed 4 H(s) to resolve clashes.
+Added 7 Cl- ion(s) to neutralize net charge (+6.683e).
+[2026-08-19 14:00:30,627] [WARNING] [ep 7] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.0, 326.3296015262604, 0.0)
+dedup_altloc: dropped 119 alternate-conformer atoms (1140 -> 1021)
+Removed 4 H(s) to resolve clashes.
+Added 7 Cl- ion(s) to neutralize net charge (+6.683e).
+[2026-08-19 14:01:51,825] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 14:01:52,678] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 17:L>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1146 -> 1027)
+Removed 7 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[2026-08-19 14:04:00,830] [INFO] 存活突变体: KVFGRCELAAAMKRHGWDNYRGYSLGNWVCAAWFESNFNTQATNRNWWGWTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGHWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep007_0_20.npz
+[2026-08-19 14:04:01,576] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 14:04:01,661] [INFO] 新亲本结构已重建: KVFGRCELAAAMKRHGWDNY... (n_res=129)
+[2026-08-19 14:04:01,779] [INFO] 伪标签回流: 119 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 952 条）
+
RL post-train:  18%|█▊        | 7/40 [1:47:53<8:15:02, 900.09s/ep, alpha=0.993, buffer=320, crash=Y, wt=KVFGRCEL]
RL post-train:  20%|██        | 8/40 [1:47:53<7:37:24, 857.63s/ep, alpha=0.993, buffer=320, crash=Y, wt=KVFGRCEL]dedup_altloc: dropped 119 alternate-conformer atoms (1146 -> 1027)
+Removed 7 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+2.051e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1146 -> 1027)
+Removed 7 H(s) to resolve clashes.
+Added 7 Cl- ion(s) to neutralize net charge (+6.521e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1146 -> 1027)
+Removed 7 H(s) to resolve clashes.
+Added 12 Cl- ion(s) to neutralize net charge (+12.399e).
+[2026-08-19 14:11:14,902] [WARNING] [ep 8] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 324.9233646392822, 0.0)
+dedup_altloc: dropped 119 alternate-conformer atoms (1146 -> 1027)
+Removed 7 H(s) to resolve clashes.
+Added 12 Cl- ion(s) to neutralize net charge (+12.399e).
+[2026-08-19 14:12:36,317] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 14:12:37,113] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:H>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1150 -> 1031)
+Removed 8 H(s) to resolve clashes.
+[solvent_reuse] Pruned 19 clashing water molecule(s) near mutated residues.
+[2026-08-19 14:14:51,064] [INFO] 存活突变体: KVFGRCELAAAMKRHGWDNYRGYSLGNWVCAAWFESNFNTQATNRNWWGWTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGWWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep008_0_20.npz
+[2026-08-19 14:14:51,950] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 14:14:52,049] [INFO] 新亲本结构已重建: KVFGRCELAAAMKRHGWDNY... (n_res=129)
+[2026-08-19 14:14:52,189] [INFO] 伪标签回流: 120 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 960 条）
+
RL post-train:  20%|██        | 8/40 [1:58:43<7:37:24, 857.63s/ep, alpha=0.992, buffer=360, crash=Y, wt=KVFGRCEL]
RL post-train:  22%|██▎       | 9/40 [1:58:43<6:49:38, 792.85s/ep, alpha=0.992, buffer=360, crash=Y, wt=KVFGRCEL]dedup_altloc: dropped 119 alternate-conformer atoms (1150 -> 1031)
+Removed 8 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.906e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1150 -> 1031)
+Removed 8 H(s) to resolve clashes.
+Added 12 Cl- ion(s) to neutralize net charge (+12.254e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1150 -> 1031)
+Removed 8 H(s) to resolve clashes.
+Added 12 Cl- ion(s) to neutralize net charge (+12.254e).
+[2026-08-19 14:22:00,231] [WARNING] [ep 9] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 283.96751952171326, 0.0)
+dedup_altloc: dropped 119 alternate-conformer atoms (1150 -> 1031)
+Removed 8 H(s) to resolve clashes.
+Added 12 Cl- ion(s) to neutralize net charge (+12.254e).
+[2026-08-19 14:23:21,552] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 14:23:22,383] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 8:L>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1156 -> 1037)
+Removed 8 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 14:25:25,042] [INFO] 存活突变体: KVFGRCEWAAAMKRHGWDNYRGYSLGNWVCAAWFESNFNTQATNRNWWGWTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGWWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep009_0_20.npz
+[2026-08-19 14:25:25,723] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 14:25:25,825] [INFO] 新亲本结构已重建: KVFGRCEWAAAMKRHGWDNY... (n_res=129)
+[2026-08-19 14:25:26,494] [INFO] 伪标签回流: 121 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 968 条）
+
RL post-train:  22%|██▎       | 9/40 [2:09:17<6:49:38, 792.85s/ep, alpha=0.991, buffer=400, crash=Y, wt=KVFGRCEW]
RL post-train:  25%|██▌       | 10/40 [2:09:17<6:11:57, 743.91s/ep, alpha=0.991, buffer=400, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 119 alternate-conformer atoms (1156 -> 1037)
+Removed 8 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.594e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1156 -> 1037)
+Removed 8 H(s) to resolve clashes.
+Added 12 Cl- ion(s) to neutralize net charge (+11.943e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1156 -> 1037)
+Removed 8 H(s) to resolve clashes.
+Added 12 Cl- ion(s) to neutralize net charge (+11.943e).
+[2026-08-19 14:32:40,048] [WARNING] [ep 10] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 320.1158239841461, 0.0)
+dedup_altloc: dropped 119 alternate-conformer atoms (1156 -> 1037)
+Removed 8 H(s) to resolve clashes.
+Added 12 Cl- ion(s) to neutralize net charge (+11.943e).
+[2026-08-19 14:34:01,268] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 14:34:01,742] [INFO] [ep 10] Head D 置信度 loss: 0.2640
+[2026-08-19 14:34:01,743] [INFO] [ep 10] alpha=0.990 buffer=440 | wt=KVFGRCEWAAAMKRHGWDNY | 8273s
+[2026-08-19 14:34:02,349] [INFO] [ep 10] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:  25%|██▌       | 10/40 [2:17:53<6:11:57, 743.91s/ep, alpha=0.990, buffer=440, crash=Y, wt=KVFGRCEW]
RL post-train:  28%|██▊       | 11/40 [2:17:53<5:25:49, 674.10s/ep, alpha=0.990, buffer=440, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 119 alternate-conformer atoms (1156 -> 1037)
+Removed 8 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.150e).
+[2026-08-19 14:35:27,141] [WARNING] [ep 11] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.0, 330.0, 0.0)
+dedup_altloc: dropped 119 alternate-conformer atoms (1156 -> 1037)
+Removed 8 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.150e).
+[2026-08-19 14:36:50,275] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 14:36:51,114] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 9:A>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1165 -> 1046)
+Removed 17 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.371e) by adding 1 Na+ ion(s).
+[2026-08-19 14:39:10,373] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSLGNWVCAAWFESNFNTQATNRNWWGWTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGWWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep011_0_20.npz
+[2026-08-19 14:39:11,201] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 91:S>W;92:V>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1171 -> 1052)
+Removed 12 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.763e) by adding 1 Na+ ion(s).
+[2026-08-19 14:41:28,715] [INFO] 存活突变体: KVFGRCEWAAAMKRHGWDNYRGYSLGNWVCAAWFESNFNTQATNRNWWGWTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITAWWNCAKKIVSDGNGMNAWGWWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep011_1_20.npz
+[2026-08-19 14:41:29,443] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 14:41:29,561] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGWDNY... (n_res=129)
+[2026-08-19 14:41:32,268] [INFO] 伪标签回流: 123 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 984 条）
+
RL post-train:  28%|██▊       | 11/40 [2:25:23<5:25:49, 674.10s/ep, alpha=0.989, buffer=460, crash=Y, wt=KVFGRCEW]
RL post-train:  30%|███       | 12/40 [2:25:23<4:42:45, 605.91s/ep, alpha=0.989, buffer=460, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 119 alternate-conformer atoms (1165 -> 1046)
+Removed 17 H(s) to resolve clashes.
+dedup_altloc: dropped 119 alternate-conformer atoms (1165 -> 1046)
+Removed 17 H(s) to resolve clashes.
+Added 3 Cl- ion(s) to neutralize net charge (+2.629e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1165 -> 1046)
+Removed 17 H(s) to resolve clashes.
+Added 10 Cl- ion(s) to neutralize net charge (+10.422e).
+[2026-08-19 14:48:48,019] [WARNING] [ep 12] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 119 alternate-conformer atoms (1165 -> 1046)
+Removed 17 H(s) to resolve clashes.
+Added 10 Cl- ion(s) to neutralize net charge (+10.422e).
+[2026-08-19 14:50:09,566] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 14:50:10,378] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 91:S>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1173 -> 1054)
+Removed 20 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 14:52:25,758] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSLGNWVCAAWFESNFNTQATNRNWWGWTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITAWVNCAKKIVSDGNGMNAWGWWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.78, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep012_0_20.npz
+[2026-08-19 14:52:26,618] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 37:N>W;39:N>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1177 -> 1058)
+Removed 21 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.767e) by adding 1 Na+ ion(s).
+[2026-08-19 14:54:41,066] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSLGNWVCAAWFESWFWTQATNRNWWGWTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGWWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep012_1_20.npz
+[2026-08-19 14:54:41,784] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 14:54:41,914] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGWDNY... (n_res=129)
+[2026-08-19 14:54:42,089] [INFO] 伪标签回流: 125 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1000 条）
+
RL post-train:  30%|███       | 12/40 [2:38:33<4:42:45, 605.91s/ep, alpha=0.988, buffer=500, crash=Y, wt=KVFGRCEW]
RL post-train:  32%|███▎      | 13/40 [2:38:33<4:57:43, 661.62s/ep, alpha=0.988, buffer=500, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 119 alternate-conformer atoms (1173 -> 1054)
+Removed 20 H(s) to resolve clashes.
+dedup_altloc: dropped 119 alternate-conformer atoms (1173 -> 1054)
+Removed 20 H(s) to resolve clashes.
+Added 10 Cl- ion(s) to neutralize net charge (+10.161e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1173 -> 1054)
+Removed 20 H(s) to resolve clashes.
+Added 10 Cl- ion(s) to neutralize net charge (+10.161e).
+[2026-08-19 15:02:00,194] [WARNING] [ep 13] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 119 alternate-conformer atoms (1173 -> 1054)
+Removed 20 H(s) to resolve clashes.
+Added 10 Cl- ion(s) to neutralize net charge (+10.161e).
+[2026-08-19 15:03:24,707] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 15:03:25,606] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 37:N>W;39:N>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1185 -> 1066)
+Removed 24 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.028e) by adding 1 Na+ ion(s).
+[2026-08-19 15:05:45,603] [ERROR] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 246/400 (T=289K, U=1.230e8)
+[2026-08-19 15:05:46,417] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 92:V>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1180 -> 1061)
+Removed 21 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 15:08:05,143] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSLGNWVCAAWFESNFNTQATNRNWWGWTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITAWWNCAKKIVSDGNGMNAWGWWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.78, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep013_0_20.npz
+[2026-08-19 15:08:05,970] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 72:S>W;90:A>W
+dedup_altloc: dropped 117 alternate-conformer atoms (1188 -> 1071)
+Removed 28 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.623e) by adding 1 Na+ ion(s).
+[2026-08-19 15:10:31,057] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSLGNWVCAAWFESNFNTQATNRNWWGWTDYGILQINSRWWCNDGRTPGWRNLCNIPCSALLSSDITWWVNCAKKIVSDGNGMNAWGWWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep013_1_20.npz
+[2026-08-19 15:10:32,067] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 90:A>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1182 -> 1063)
+Removed 22 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[2026-08-19 15:12:47,421] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSLGNWVCAAWFESNFNTQATNRNWWGWTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITWWVNCAKKIVSDGNGMNAWGWWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.78, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep013_2_20.npz
+[2026-08-19 15:12:48,112] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 15:12:48,244] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGWDNY... (n_res=129)
+[2026-08-19 15:12:49,126] [INFO] 伪标签回流: 128 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1024 条）
+
RL post-train:  32%|███▎      | 13/40 [2:56:40<4:57:43, 661.62s/ep, alpha=0.987, buffer=540, crash=Y, wt=KVFGRCEW]
RL post-train:  35%|███▌      | 14/40 [2:56:40<5:42:23, 790.13s/ep, alpha=0.987, buffer=540, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 119 alternate-conformer atoms (1180 -> 1061)
+Removed 21 H(s) to resolve clashes.
+Added 1 Na+ ion(s) to neutralize net charge (-0.840e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1180 -> 1061)
+Removed 21 H(s) to resolve clashes.
+Added 10 Cl- ion(s) to neutralize net charge (+9.508e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1180 -> 1061)
+Removed 21 H(s) to resolve clashes.
+Added 10 Cl- ion(s) to neutralize net charge (+9.508e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1180 -> 1061)
+Removed 21 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.716e).
+[2026-08-19 15:21:22,385] [WARNING] [ep 14] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.0, 330.0, 0.0)
+dedup_altloc: dropped 119 alternate-conformer atoms (1180 -> 1061)
+Removed 21 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.716e).
+[2026-08-19 15:22:45,482] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 15:22:46,295] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 25:L>Y;90:A>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1193 -> 1074)
+Removed 24 H(s) to resolve clashes.
+[solvent_reuse] Pruned 19 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.930e) by adding 1 Na+ ion(s).
+[2026-08-19 15:25:05,384] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFNTQATNRNWWGWTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITWWWNCAKKIVSDGNGMNAWGWWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep014_0_20.npz
+[2026-08-19 15:25:06,348] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 90:A>W
+dedup_altloc: dropped 119 alternate-conformer atoms (1189 -> 1070)
+Removed 23 H(s) to resolve clashes.
+[solvent_reuse] Pruned 19 clashing water molecule(s) near mutated residues.
+[2026-08-19 15:27:27,472] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSLGNWVCAAWFESNFNTQATNRNWWGWTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITWWWNCAKKIVSDGNGMNAWGWWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.78, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep014_1_20.npz
+[2026-08-19 15:27:28,161] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 15:27:28,318] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGWDNY... (n_res=129)
+[2026-08-19 15:27:29,378] [INFO] 伪标签回流: 130 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1040 条）
+
RL post-train:  35%|███▌      | 14/40 [3:11:20<5:42:23, 790.13s/ep, alpha=0.986, buffer=580, crash=Y, wt=KVFGRCEW]
RL post-train:  38%|███▊      | 15/40 [3:11:20<5:40:32, 817.29s/ep, alpha=0.986, buffer=580, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 119 alternate-conformer atoms (1193 -> 1074)
+Removed 23 H(s) to resolve clashes.
+Added 1 Na+ ion(s) to neutralize net charge (-1.486e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1193 -> 1074)
+Removed 24 H(s) to resolve clashes.
+Added 9 Cl- ion(s) to neutralize net charge (+8.862e).
+dedup_altloc: dropped 119 alternate-conformer atoms (1193 -> 1074)
+Removed 24 H(s) to resolve clashes.
+Added 9 Cl- ion(s) to neutralize net charge (+8.862e).
+[2026-08-19 15:34:52,373] [WARNING] [ep 15] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 119 alternate-conformer atoms (1193 -> 1074)
+Removed 24 H(s) to resolve clashes.
+Added 9 Cl- ion(s) to neutralize net charge (+8.862e).
+[2026-08-19 15:36:14,003] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 15:36:14,911] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 39:N>W;72:S>W
+dedup_altloc: dropped 117 alternate-conformer atoms (1205 -> 1088)
+Removed 33 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.459e) by adding 1 Na+ ion(s).
+[2026-08-19 15:38:48,093] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCNDGRTPGWRNLCNIPCSALLSSDITWWWNCAKKIVSDGNGMNAWGWWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.75, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep015_0_20.npz
+[2026-08-19 15:38:48,790] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 15:38:48,971] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGWDNY... (n_res=129)
+[2026-08-19 15:38:49,135] [INFO] 伪标签回流: 131 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1048 条）
+
RL post-train:  38%|███▊      | 15/40 [3:22:40<5:40:32, 817.29s/ep, alpha=0.985, buffer=620, crash=Y, wt=KVFGRCEW]
RL post-train:  40%|████      | 16/40 [3:22:40<5:10:21, 775.89s/ep, alpha=0.985, buffer=620, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1205 -> 1088)
+Removed 32 H(s) to resolve clashes.
+Added 3 Na+ ion(s) to neutralize net charge (-2.807e).
+dedup_altloc: dropped 117 alternate-conformer atoms (1205 -> 1088)
+Removed 33 H(s) to resolve clashes.
+Added 8 Cl- ion(s) to neutralize net charge (+7.541e).
+dedup_altloc: dropped 117 alternate-conformer atoms (1205 -> 1088)
+Removed 33 H(s) to resolve clashes.
+Added 8 Cl- ion(s) to neutralize net charge (+7.541e).
+[2026-08-19 15:46:29,458] [WARNING] [ep 16] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1205 -> 1088)
+Removed 33 H(s) to resolve clashes.
+Added 8 Cl- ion(s) to neutralize net charge (+7.541e).
+[2026-08-19 15:47:52,968] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 15:47:53,941] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 75:L>Y
+dedup_altloc: dropped 117 alternate-conformer atoms (1209 -> 1092)
+Removed 33 H(s) to resolve clashes.
+[solvent_reuse] Pruned 21 clashing water molecule(s) near mutated residues.
+[2026-08-19 15:50:05,193] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCNDGRTPGWRNYCNIPCSALLSSDITWWWNCAKKIVSDGNGMNAWGWWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.73, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep016_0_20.npz
+[2026-08-19 15:50:05,816] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 15:50:05,996] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGWDNY... (n_res=129)
+[2026-08-19 15:50:06,144] [INFO] 伪标签回流: 132 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1056 条）
+
RL post-train:  40%|████      | 16/40 [3:33:57<5:10:21, 775.89s/ep, alpha=0.984, buffer=660, crash=Y, wt=KVFGRCEW]
RL post-train:  42%|████▎     | 17/40 [3:33:57<4:46:01, 746.15s/ep, alpha=0.984, buffer=660, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1209 -> 1092)
+Removed 32 H(s) to resolve clashes.
+Added 3 Na+ ion(s) to neutralize net charge (-3.161e).
+dedup_altloc: dropped 117 alternate-conformer atoms (1209 -> 1092)
+Removed 33 H(s) to resolve clashes.
+Added 8 Cl- ion(s) to neutralize net charge (+7.587e).
+dedup_altloc: dropped 117 alternate-conformer atoms (1209 -> 1092)
+Removed 33 H(s) to resolve clashes.
+Added 8 Cl- ion(s) to neutralize net charge (+7.587e).
+[2026-08-19 15:57:34,004] [WARNING] [ep 17] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1209 -> 1092)
+Removed 33 H(s) to resolve clashes.
+Added 8 Cl- ion(s) to neutralize net charge (+7.587e).
+[2026-08-19 15:59:00,099] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:  42%|████▎     | 17/40 [3:42:51<4:46:01, 746.15s/ep, alpha=0.983, buffer=700, crash=Y, wt=KVFGRCEW]
RL post-train:  45%|████▌     | 18/40 [3:42:51<4:10:12, 682.41s/ep, alpha=0.983, buffer=700, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1209 -> 1092)
+Removed 33 H(s) to resolve clashes.
+Added 8 Cl- ion(s) to neutralize net charge (+7.587e).
+[2026-08-19 16:00:30,469] [WARNING] [ep 18] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1209 -> 1092)
+Removed 33 H(s) to resolve clashes.
+Added 8 Cl- ion(s) to neutralize net charge (+7.587e).
+[2026-08-19 16:01:54,378] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:  45%|████▌     | 18/40 [3:45:45<4:10:12, 682.41s/ep, alpha=0.983, buffer=720, crash=Y, wt=KVFGRCEW]
RL post-train:  48%|████▊     | 19/40 [3:45:45<3:05:25, 529.78s/ep, alpha=0.983, buffer=720, crash=Y, wt=KVFGRCEW][2026-08-19 16:02:05,900] [WARNING] [ep 19] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1209 -> 1092)
+Removed 33 H(s) to resolve clashes.
+Added 8 Cl- ion(s) to neutralize net charge (+7.587e).
+[2026-08-19 16:03:30,367] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:  48%|████▊     | 19/40 [3:47:21<3:05:25, 529.78s/ep, alpha=0.982, buffer=740, crash=Y, wt=KVFGRCEW]
RL post-train:  50%|█████     | 20/40 [3:47:21<2:13:10, 399.54s/ep, alpha=0.982, buffer=740, crash=Y, wt=KVFGRCEW][2026-08-19 16:03:41,107] [WARNING] [ep 20] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1209 -> 1092)
+Removed 33 H(s) to resolve clashes.
+Added 8 Cl- ion(s) to neutralize net charge (+7.587e).
+[2026-08-19 16:05:01,351] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 16:05:01,378] [INFO] [ep 20] Head D 置信度 loss: 0.2891
+[2026-08-19 16:05:01,379] [INFO] [ep 20] alpha=0.982 buffer=760 | wt=KVFGRCEWWAAMKRHGWDNY | 13733s
+[2026-08-19 16:05:02,159] [INFO] [ep 20] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:  50%|█████     | 20/40 [3:48:53<2:13:10, 399.54s/ep, alpha=0.982, buffer=760, crash=Y, wt=KVFGRCEW]
RL post-train:  52%|█████▎    | 21/40 [3:48:53<1:37:15, 307.16s/ep, alpha=0.982, buffer=760, crash=Y, wt=KVFGRCEW][2026-08-19 16:05:11,977] [WARNING] [ep 21] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1209 -> 1092)
+Removed 33 H(s) to resolve clashes.
+Added 8 Cl- ion(s) to neutralize net charge (+7.587e).
+[2026-08-19 16:06:36,281] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:  52%|█████▎    | 21/40 [3:50:27<1:37:15, 307.16s/ep, alpha=0.981, buffer=780, crash=Y, wt=KVFGRCEW]
RL post-train:  55%|█████▌    | 22/40 [3:50:27<1:12:58, 243.23s/ep, alpha=0.981, buffer=780, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1209 -> 1092)
+Removed 33 H(s) to resolve clashes.
+Added 8 Cl- ion(s) to neutralize net charge (+7.587e).
+[2026-08-19 16:08:05,927] [WARNING] [ep 22] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.501950263977051, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1209 -> 1092)
+Removed 33 H(s) to resolve clashes.
+Added 8 Cl- ion(s) to neutralize net charge (+7.587e).
+[2026-08-19 16:09:29,033] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 16:09:29,838] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 74:N>Y;118:T>Y
+dedup_altloc: dropped 113 alternate-conformer atoms (1214 -> 1101)
+Removed 40 H(s) to resolve clashes.
+[solvent_reuse] Pruned 26 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.705e) by adding 2 Na+ ion(s).
+[2026-08-19 16:11:40,060] [ERROR] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 204/400 (T=257K, U=1.066e8)
+
RL post-train:  55%|█████▌    | 22/40 [3:55:31<1:12:58, 243.23s/ep, alpha=0.980, buffer=800, crash=Y, wt=KVFGRCEW]
RL post-train:  57%|█████▊    | 23/40 [3:55:31<1:14:04, 261.42s/ep, alpha=0.980, buffer=800, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1209 -> 1092)
+Removed 33 H(s) to resolve clashes.
+Added 8 Cl- ion(s) to neutralize net charge (+7.587e).
+[2026-08-19 16:13:10,345] [WARNING] [ep 23] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1209 -> 1092)
+Removed 33 H(s) to resolve clashes.
+Added 8 Cl- ion(s) to neutralize net charge (+7.587e).
+[2026-08-19 16:14:34,776] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 16:14:35,682] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 116:K>W
+dedup_altloc: dropped 117 alternate-conformer atoms (1214 -> 1097)
+Removed 34 H(s) to resolve clashes.
+[solvent_reuse] Pruned 23 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.649e) by adding 2 Na+ ion(s).
+[2026-08-19 16:16:47,978] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCNDGRTPGWRNYCNIPCSALLSSDITWWWNCAKKIVSDGNGMNAWGWWRNRCWGTDVQAWIRGCRL (steps=20, Q=0.74, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep023_0_20.npz
+[2026-08-19 16:16:48,784] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 16:16:49,000] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGWDNY... (n_res=129)
+[2026-08-19 16:16:50,220] [INFO] 伪标签回流: 133 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1064 条）
+
RL post-train:  57%|█████▊    | 23/40 [4:00:41<1:14:04, 261.42s/ep, alpha=0.980, buffer=820, crash=Y, wt=KVFGRCEW]
RL post-train:  60%|██████    | 24/40 [4:00:41<1:13:36, 276.02s/ep, alpha=0.980, buffer=820, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1214 -> 1097)
+Removed 33 H(s) to resolve clashes.
+Added 4 Na+ ion(s) to neutralize net charge (-4.057e).
+dedup_altloc: dropped 117 alternate-conformer atoms (1214 -> 1097)
+Removed 34 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.351e).
+dedup_altloc: dropped 117 alternate-conformer atoms (1214 -> 1097)
+Removed 34 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.351e).
+[2026-08-19 16:24:14,623] [WARNING] [ep 24] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1214 -> 1097)
+Removed 34 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.351e).
+[2026-08-19 16:25:39,645] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 16:25:40,515] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 65:N>W;68:R>W
+dedup_altloc: dropped 117 alternate-conformer atoms (1223 -> 1106)
+Removed 36 H(s) to resolve clashes.
+[solvent_reuse] Pruned 26 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.858e) by adding 1 Na+ ion(s).
+[2026-08-19 16:27:35,118] [ERROR] 突变评估失败: mutant equilibrate failed: system crashed during equilibration at step 174/400 (T=234K, U=1.022e8)
+
RL post-train:  60%|██████    | 24/40 [4:11:26<1:13:36, 276.02s/ep, alpha=0.979, buffer=860, crash=Y, wt=KVFGRCEW]
RL post-train:  62%|██████▎   | 25/40 [4:11:26<1:36:40, 386.72s/ep, alpha=0.979, buffer=860, crash=Y, wt=KVFGRCEW][2026-08-19 16:27:46,657] [WARNING] [ep 25] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1214 -> 1097)
+Removed 34 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.351e).
+[2026-08-19 16:29:12,125] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 16:29:13,062] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 65:N>W
+dedup_altloc: dropped 117 alternate-conformer atoms (1220 -> 1103)
+Removed 34 H(s) to resolve clashes.
+[solvent_reuse] Pruned 20 clashing water molecule(s) near mutated residues.
+[2026-08-19 16:32:02,622] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCWDGRTPGWRNYCNIPCSALLSSDITWWWNCAKKIVSDGNGMNAWGWWRNRCWGTDVQAWIRGCRL (steps=20, Q=0.73, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep025_0_20.npz
+[2026-08-19 16:32:03,563] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 65:N>W;66:D>W;68:R>W
+dedup_altloc: dropped 117 alternate-conformer atoms (1229 -> 1112)
+Removed 36 H(s) to resolve clashes.
+[solvent_reuse] Pruned 30 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.809e) by adding 1 Na+ ion(s).
+[2026-08-19 16:34:22,026] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCWWGWTPGWRNYCNIPCSALLSSDITWWWNCAKKIVSDGNGMNAWGWWRNRCWGTDVQAWIRGCRL (steps=20, Q=0.75, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep025_1_20.npz
+[2026-08-19 16:34:22,882] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 73:R>W
+dedup_altloc: dropped 115 alternate-conformer atoms (1220 -> 1105)
+Removed 33 H(s) to resolve clashes.
+[solvent_reuse] Pruned 25 clashing water molecule(s) near mutated residues.
+[2026-08-19 16:36:42,847] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCNDGRTPGWWNYCNIPCSALLSSDITWWWNCAKKIVSDGNGMNAWGWWRNRCWGTDVQAWIRGCRL (steps=20, Q=0.74, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep025_2_20.npz
+[2026-08-19 16:36:43,676] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 16:36:43,889] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGWDNY... (n_res=129)
+[2026-08-19 16:36:44,059] [INFO] 伪标签回流: 136 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1088 条）
+
RL post-train:  62%|██████▎   | 25/40 [4:20:35<1:36:40, 386.72s/ep, alpha=0.978, buffer=880, crash=Y, wt=KVFGRCEW]
RL post-train:  65%|██████▌   | 26/40 [4:20:35<1:41:35, 435.37s/ep, alpha=0.978, buffer=880, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1220 -> 1103)
+Removed 33 H(s) to resolve clashes.
+Added 4 Na+ ion(s) to neutralize net charge (-4.057e).
+dedup_altloc: dropped 117 alternate-conformer atoms (1220 -> 1103)
+Removed 34 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.351e).
+dedup_altloc: dropped 117 alternate-conformer atoms (1220 -> 1103)
+Removed 34 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.351e).
+[2026-08-19 16:44:05,782] [WARNING] [ep 26] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1220 -> 1103)
+Removed 34 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.351e).
+[2026-08-19 16:45:26,137] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 16:45:26,986] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 66:D>W
+dedup_altloc: dropped 117 alternate-conformer atoms (1226 -> 1109)
+Removed 34 H(s) to resolve clashes.
+[solvent_reuse] Pruned 23 clashing water molecule(s) near mutated residues.
+[2026-08-19 16:47:45,234] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCWWGRTPGWRNYCNIPCSALLSSDITWWWNCAKKIVSDGNGMNAWGWWRNRCWGTDVQAWIRGCRL (steps=20, Q=0.74, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep026_0_20.npz
+[2026-08-19 16:47:46,076] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 107:A>G
+dedup_altloc: dropped 117 alternate-conformer atoms (1219 -> 1102)
+Removed 34 H(s) to resolve clashes.
+[solvent_reuse] Pruned 19 clashing water molecule(s) near mutated residues.
+[2026-08-19 16:50:36,919] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCWDGRTPGWRNYCNIPCSALLSSDITWWWNCAKKIVSDGNGMNGWGWWRNRCWGTDVQAWIRGCRL (steps=20, Q=0.73, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep026_1_20.npz
+[2026-08-19 16:50:37,840] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 16:50:38,079] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGWDNY... (n_res=129)
+[2026-08-19 16:50:39,139] [INFO] 伪标签回流: 138 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1104 条）
+
RL post-train:  65%|██████▌   | 26/40 [4:34:30<1:41:35, 435.37s/ep, alpha=0.977, buffer=920, crash=Y, wt=KVFGRCEW]
RL post-train:  68%|██████▊   | 27/40 [4:34:30<2:00:18, 555.29s/ep, alpha=0.977, buffer=920, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1226 -> 1109)
+Removed 33 H(s) to resolve clashes.
+Added 3 Na+ ion(s) to neutralize net charge (-3.069e).
+dedup_altloc: dropped 117 alternate-conformer atoms (1226 -> 1109)
+Removed 34 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.400e).
+dedup_altloc: dropped 117 alternate-conformer atoms (1226 -> 1109)
+Removed 34 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.400e).
+[2026-08-19 16:58:21,051] [WARNING] [ep 27] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1226 -> 1109)
+Removed 34 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.400e).
+[2026-08-19 16:59:42,415] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 16:59:43,260] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 69:T>W
+dedup_altloc: dropped 117 alternate-conformer atoms (1233 -> 1116)
+Removed 40 H(s) to resolve clashes.
+[solvent_reuse] Pruned 20 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.528e) by adding 1 Na+ ion(s).
+[2026-08-19 17:02:04,764] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCWWGRWPGWRNYCNIPCSALLSSDITWWWNCAKKIVSDGNGMNAWGWWRNRCWGTDVQAWIRGCRL (steps=20, Q=0.75, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep027_0_20.npz
+[2026-08-19 17:02:05,417] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 17:02:05,660] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGWDNY... (n_res=129)
+[2026-08-19 17:02:05,867] [INFO] 伪标签回流: 139 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1112 条）
+
RL post-train:  68%|██████▊   | 27/40 [4:45:57<2:00:18, 555.29s/ep, alpha=0.976, buffer=960, crash=Y, wt=KVFGRCEW]
RL post-train:  70%|███████   | 28/40 [4:45:57<1:58:56, 594.73s/ep, alpha=0.976, buffer=960, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1233 -> 1116)
+Removed 39 H(s) to resolve clashes.
+Added 4 Na+ ion(s) to neutralize net charge (-3.996e).
+dedup_altloc: dropped 117 alternate-conformer atoms (1233 -> 1116)
+Removed 40 H(s) to resolve clashes.
+Added 5 Cl- ion(s) to neutralize net charge (+5.472e).
+[2026-08-19 17:06:26,761] [WARNING] [ep 28] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1233 -> 1116)
+Removed 40 H(s) to resolve clashes.
+Added 5 Cl- ion(s) to neutralize net charge (+5.472e).
+[2026-08-19 17:07:50,646] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 17:07:51,542] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 68:R>W
+dedup_altloc: dropped 117 alternate-conformer atoms (1236 -> 1119)
+Removed 41 H(s) to resolve clashes.
+[solvent_reuse] Pruned 26 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.883e) by adding 1 Na+ ion(s).
+[2026-08-19 17:10:15,935] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCWWGWWPGWRNYCNIPCSALLSSDITWWWNCAKKIVSDGNGMNAWGWWRNRCWGTDVQAWIRGCRL (steps=20, Q=0.72, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep028_0_20.npz
+[2026-08-19 17:10:16,715] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 81:S>K
+dedup_altloc: dropped 117 alternate-conformer atoms (1236 -> 1119)
+Removed 40 H(s) to resolve clashes.
+[solvent_reuse] Pruned 26 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.472e) by adding 1 Cl- ion(s).
+[2026-08-19 17:12:32,850] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCWWGRWPGWRNYCNIPCKALLSSDITWWWNCAKKIVSDGNGMNAWGWWRNRCWGTDVQAWIRGCRL (steps=20, Q=0.68, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep028_1_20.npz
+[2026-08-19 17:12:33,647] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 118:T>Y
+dedup_altloc: dropped 117 alternate-conformer atoms (1238 -> 1121)
+Removed 41 H(s) to resolve clashes.
+[solvent_reuse] Pruned 29 clashing water molecule(s) near mutated residues.
+[2026-08-19 17:14:46,196] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCWWGRWPGWRNYCNIPCSALLSSDITWWWNCAKKIVSDGNGMNAWGWWRNRCWGYDVQAWIRGCRL (steps=20, Q=0.70, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep028_2_20.npz
+[2026-08-19 17:14:46,855] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 17:14:47,079] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGWDNY... (n_res=129)
+[2026-08-19 17:14:48,072] [INFO] 伪标签回流: 142 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1136 条）
+
RL post-train:  70%|███████   | 28/40 [4:58:39<1:58:56, 594.73s/ep, alpha=0.976, buffer=980, crash=Y, wt=KVFGRCEW]
RL post-train:  72%|███████▎  | 29/40 [4:58:39<1:58:14, 644.98s/ep, alpha=0.976, buffer=980, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1236 -> 1119)
+Removed 40 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-5.352e).
+dedup_altloc: dropped 117 alternate-conformer atoms (1236 -> 1119)
+Removed 41 H(s) to resolve clashes.
+Added 1 Na+ ion(s) to neutralize net charge (-0.822e).
+[2026-08-19 17:19:12,248] [WARNING] [ep 29] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1236 -> 1119)
+Removed 41 H(s) to resolve clashes.
+Added 1 Na+ ion(s) to neutralize net charge (-0.822e).
+[2026-08-19 17:20:38,879] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:  72%|███████▎  | 29/40 [5:04:30<1:58:14, 644.98s/ep, alpha=0.975, buffer=1000, crash=Y, wt=KVFGRCEW]
RL post-train:  75%|███████▌  | 30/40 [5:04:30<1:32:47, 556.72s/ep, alpha=0.975, buffer=1000, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1236 -> 1119)
+Removed 41 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.117e).
+[2026-08-19 17:22:06,514] [WARNING] [ep 30] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1236 -> 1119)
+Removed 41 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.117e).
+[2026-08-19 17:23:32,325] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 17:23:32,342] [INFO] [ep 30] Head D 置信度 loss: 0.2706
+[2026-08-19 17:23:32,343] [INFO] [ep 30] alpha=0.974 buffer=1020 | wt=KVFGRCEWWAAMKRHGWDNY | 18444s
+[2026-08-19 17:23:34,839] [INFO] [ep 30] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:  75%|███████▌  | 30/40 [5:07:26<1:32:47, 556.72s/ep, alpha=0.974, buffer=1020, crash=Y, wt=KVFGRCEW]
RL post-train:  78%|███████▊  | 31/40 [5:07:26<1:06:22, 442.48s/ep, alpha=0.974, buffer=1020, crash=Y, wt=KVFGRCEW][2026-08-19 17:23:46,363] [WARNING] [ep 31] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1236 -> 1119)
+Removed 41 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.117e).
+[2026-08-19 17:25:08,095] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 17:25:09,091] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 81:S>K
+dedup_altloc: dropped 117 alternate-conformer atoms (1239 -> 1122)
+Removed 41 H(s) to resolve clashes.
+[solvent_reuse] Pruned 24 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.117e) by adding 1 Cl- ion(s).
+[2026-08-19 17:27:43,340] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCWWGWWPGWRNYCNIPCKALLSSDITWWWNCAKKIVSDGNGMNAWGWWRNRCWGTDVQAWIRGCRL (steps=20, Q=0.73, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep031_0_20.npz
+[2026-08-19 17:27:44,051] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 17:27:44,285] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGWDNY... (n_res=129)
+[2026-08-19 17:27:44,459] [INFO] 伪标签回流: 143 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1144 条）
+
RL post-train:  78%|███████▊  | 31/40 [5:11:35<1:06:22, 442.48s/ep, alpha=0.974, buffer=1040, crash=Y, wt=KVFGRCEW]
RL post-train:  80%|████████  | 32/40 [5:11:35<51:17, 384.63s/ep, alpha=0.974, buffer=1040, crash=Y, wt=KVFGRCEW]  dedup_altloc: dropped 117 alternate-conformer atoms (1239 -> 1122)
+Removed 40 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-4.692e).
+dedup_altloc: dropped 117 alternate-conformer atoms (1239 -> 1122)
+Removed 41 H(s) to resolve clashes.
+Added 5 Cl- ion(s) to neutralize net charge (+5.117e).
+[2026-08-19 17:32:07,797] [WARNING] [ep 32] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1239 -> 1122)
+Removed 41 H(s) to resolve clashes.
+Added 5 Cl- ion(s) to neutralize net charge (+5.117e).
+[2026-08-19 17:33:34,762] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 17:33:35,583] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 82:A>K
+dedup_altloc: dropped 117 alternate-conformer atoms (1243 -> 1126)
+Removed 47 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-19 17:36:01,319] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCWWGWWPGWRNYCNIPCKKLLSSDITWWWNCAKKIVSDGNGMNAWGWWRNRCWGTDVQAWIRGCRL (steps=20, Q=0.72, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep032_0_20.npz
+[2026-08-19 17:36:01,994] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 17:36:02,231] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGWDNY... (n_res=129)
+[2026-08-19 17:36:02,375] [INFO] 伪标签回流: 144 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1152 条）
+
RL post-train:  80%|████████  | 32/40 [5:19:53<51:17, 384.63s/ep, alpha=0.973, buffer=1060, crash=Y, wt=KVFGRCEW]
RL post-train:  82%|████████▎ | 33/40 [5:19:53<48:50, 418.61s/ep, alpha=0.973, buffer=1060, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1243 -> 1126)
+Removed 46 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-5.234e).
+dedup_altloc: dropped 117 alternate-conformer atoms (1243 -> 1126)
+Removed 47 H(s) to resolve clashes.
+[2026-08-19 17:40:33,058] [WARNING] [ep 33] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1243 -> 1126)
+Removed 47 H(s) to resolve clashes.
+[2026-08-19 17:42:02,641] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 17:42:03,502] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 107:A>G;118:T>Y
+dedup_altloc: dropped 117 alternate-conformer atoms (1247 -> 1130)
+Removed 48 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.535e) by adding 1 Na+ ion(s).
+[2026-08-19 17:45:13,732] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCWWGWWPGWRNYCNIPCKKLLSSDITWWWNCAKKIVSDGNGMNGWGWWRNRCWGYDVQAWIRGCRL (steps=20, Q=0.72, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep033_0_20.npz
+[2026-08-19 17:45:14,581] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 107:A>G
+dedup_altloc: dropped 117 alternate-conformer atoms (1242 -> 1125)
+Removed 47 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[2026-08-19 17:48:03,145] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCWWGWWPGWRNYCNIPCKKLLSSDITWWWNCAKKIVSDGNGMNGWGWWRNRCWGTDVQAWIRGCRL (steps=20, Q=0.70, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep033_1_20.npz
+[2026-08-19 17:48:03,898] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 17:48:04,162] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGWDNY... (n_res=129)
+[2026-08-19 17:48:04,425] [INFO] 伪标签回流: 146 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1168 条）
+
RL post-train:  82%|████████▎ | 33/40 [5:31:55<48:50, 418.61s/ep, alpha=0.973, buffer=1080, crash=Y, wt=KVFGRCEW]
RL post-train:  85%|████████▌ | 34/40 [5:31:55<50:58, 509.67s/ep, alpha=0.973, buffer=1080, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1247 -> 1130)
+Removed 47 H(s) to resolve clashes.
+Added 6 Na+ ion(s) to neutralize net charge (-5.803e).
+dedup_altloc: dropped 117 alternate-conformer atoms (1247 -> 1130)
+Removed 48 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.404e).
+[2026-08-19 17:52:41,873] [WARNING] [ep 34] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1247 -> 1130)
+Removed 48 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.404e).
+[2026-08-19 17:54:08,896] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:  85%|████████▌ | 34/40 [5:38:00<50:58, 509.67s/ep, alpha=0.972, buffer=1100, crash=Y, wt=KVFGRCEW]
RL post-train:  88%|████████▊ | 35/40 [5:38:00<38:50, 466.09s/ep, alpha=0.972, buffer=1100, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1247 -> 1130)
+Removed 48 H(s) to resolve clashes.
+Added 2 Na+ ion(s) to neutralize net charge (-2.449e).
+[2026-08-19 17:55:45,202] [WARNING] [ep 35] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (5.151355266571045, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1247 -> 1130)
+Removed 48 H(s) to resolve clashes.
+Added 2 Na+ ion(s) to neutralize net charge (-2.449e).
+[2026-08-19 17:57:14,842] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:  88%|████████▊ | 35/40 [5:41:06<38:50, 466.09s/ep, alpha=0.971, buffer=1120, crash=Y, wt=KVFGRCEW]
RL post-train:  90%|█████████ | 36/40 [5:41:06<25:28, 382.05s/ep, alpha=0.971, buffer=1120, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1247 -> 1130)
+Removed 48 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.404e).
+dedup_altloc: dropped 117 alternate-conformer atoms (1247 -> 1130)
+Removed 48 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.404e).
+[2026-08-19 18:02:01,441] [WARNING] [ep 36] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1247 -> 1130)
+Removed 48 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.404e).
+[2026-08-19 18:03:30,047] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:  90%|█████████ | 36/40 [5:47:21<25:28, 382.05s/ep, alpha=0.971, buffer=1160, crash=Y, wt=KVFGRCEW]
RL post-train:  92%|█████████▎| 37/40 [5:47:21<19:00, 380.00s/ep, alpha=0.971, buffer=1160, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1247 -> 1130)
+Removed 48 H(s) to resolve clashes.
+Added 1 Na+ ion(s) to neutralize net charge (-0.535e).
+[2026-08-19 18:05:01,066] [WARNING] [ep 37] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1247 -> 1130)
+Removed 48 H(s) to resolve clashes.
+Added 1 Na+ ion(s) to neutralize net charge (-0.535e).
+[2026-08-19 18:06:30,177] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:  92%|█████████▎| 37/40 [5:50:21<19:00, 380.00s/ep, alpha=0.970, buffer=1180, crash=Y, wt=KVFGRCEW]
RL post-train:  95%|█████████▌| 38/40 [5:50:21<10:40, 320.05s/ep, alpha=0.970, buffer=1180, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1247 -> 1130)
+Removed 48 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.404e).
+[2026-08-19 18:08:02,823] [WARNING] [ep 38] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1247 -> 1130)
+Removed 48 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.404e).
+[2026-08-19 18:09:30,657] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:  95%|█████████▌| 38/40 [5:53:21<10:40, 320.05s/ep, alpha=0.969, buffer=1200, crash=Y, wt=KVFGRCEW]
RL post-train:  98%|█████████▊| 39/40 [5:53:21<04:38, 278.17s/ep, alpha=0.969, buffer=1200, crash=Y, wt=KVFGRCEW]dedup_altloc: dropped 117 alternate-conformer atoms (1247 -> 1130)
+Removed 48 H(s) to resolve clashes.
+Added 2 Na+ ion(s) to neutralize net charge (-2.449e).
+[2026-08-19 18:11:04,062] [WARNING] [ep 39] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 330.0, 0.0)
+dedup_altloc: dropped 117 alternate-conformer atoms (1247 -> 1130)
+Removed 48 H(s) to resolve clashes.
+Added 2 Na+ ion(s) to neutralize net charge (-2.449e).
+[2026-08-19 18:12:29,106] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 18:12:29,924] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>S
+dedup_altloc: dropped 117 alternate-conformer atoms (1242 -> 1125)
+Removed 48 H(s) to resolve clashes.
+[solvent_reuse] Pruned 20 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.449e) by adding 1 Na+ ion(s).
+[2026-08-19 18:14:42,191] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYSGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCWWGWWPGWRNYCNIPCKKLLSSDITWWWNCAKKIVSDGNGMNGWGWWRNRCWGYDVQAWIRGCRL (steps=20, Q=0.71, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep039_0_20.npz
+[2026-08-19 18:14:42,994] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 103:N>W
+dedup_altloc: dropped 113 alternate-conformer atoms (1249 -> 1136)
+Removed 48 H(s) to resolve clashes.
+[solvent_reuse] Pruned 22 clashing water molecule(s) near mutated residues.
+[2026-08-19 18:16:58,183] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYRGYSYGNWVCAAWFESNFWTQATNRNWWGWTDYGILQINSRWWCWWGWWPGWRNYCNIPCKKLLSSDITWWWNCAKKIVSDGWGMNGWGWWRNRCWGYDVQAWIRGCRL (steps=20, Q=0.73, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_6qqe_ep039_1_20.npz
+[2026-08-19 18:16:58,993] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 18:16:59,257] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGWDNY... (n_res=129)
+[2026-08-19 18:17:00,823] [INFO] 伪标签回流: 148 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1184 条）
+[2026-08-19 18:17:01,976] [INFO] [ep 39] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:  98%|█████████▊| 39/40 [6:00:53<04:38, 278.17s/ep, alpha=0.969, buffer=1220, crash=Y, wt=KVFGRCEW]
RL post-train: 100%|██████████| 40/40 [6:00:53<00:00, 330.09s/ep, alpha=0.969, buffer=1220, crash=Y, wt=KVFGRCEW]
RL post-train: 100%|██████████| 40/40 [6:00:53<00:00, 541.33s/ep, alpha=0.969, buffer=1220, crash=Y, wt=KVFGRCEW]
+2026-08-19 18:17:51.159844: I external/local_xla/xla/tsl/cuda/cudart_stub.cc:31] Could not find cuda drivers on your machine, GPU will not be used.
+2026-08-19 18:17:52.821273: I tensorflow/core/platform/cpu_feature_guard.cc:210] This TensorFlow binary is optimized to use available CPU instructions in performance-critical operations.
+To enable the following instructions: AVX2 FMA, in other operations, rebuild TensorFlow with the appropriate compiler flags.
+2026-08-19 18:18:58.302048: I external/local_xla/xla/tsl/cuda/cudart_stub.cc:31] Could not find cuda drivers on your machine, GPU will not be used.
+[2026-08-19 18:19:55,873] [INFO] 数据管线初始结构: KVFGRCELAAAMKRHGLDNYRGYSLGNWVC... n_res=129
+[2026-08-19 18:19:55,962] [INFO] [自检] reward归一化: True | reward±10clip: True | clampA+B: True | place_sidechain: True | pred_ca默认: True
+[2026-08-19 18:19:55,962] [INFO] [自检] sac防护: u_hist归一化: True | 输入清洗: True | y/q clip: True | q clip: True | y兜底: True | NaN梯度置零: True
+Added 7 Cl- ion(s) to neutralize net charge (+7.076e).
+[2026-08-19 18:22:38,585] [INFO] 快筛通过: U=-789497.7 kcal/mol，进入双路探索
+2026-08-19 18:22:39.114484: E external/local_xla/xla/stream_executor/cuda/cuda_platform.cc:51] failed call to cuInit: INTERNAL: CUDA error: Failed call to cuInit: UNKNOWN ERROR (303)
+/public/home/redelectricity/miniconda3/envs/spice/lib/python3.12/site-packages/keras/src/saving/saving_lib.py:685: UserWarning: A total of 3 objects could not be loaded. Example error message for object <Dense name=head_b_mutation, built=True>:
+
+Layer 'head_b_mutation' expected 2 variables, but received 0 variables during loading. Expected: ['kernel', 'bias']
+
+List of objects that could not be loaded:
+[<Dense name=head_b_mutation, built=True>, <Dense name=head_c_env_offset, built=True>, <Dense name=head_d_confidence, built=True>]
+  warnings.warn(msg)
+[2026-08-19 18:22:44,683] [INFO] 已加载 Pre-train 权重: checkpoints/pretrain/best_weights.weights.h5
+
RL post-train:   0%|          | 0/40 [00:00<?, ?ep/s]Added 7 Cl- ion(s) to neutralize net charge (+7.076e).
+[2026-08-19 18:25:37,871] [INFO] [anchor] m5 基线: 0.068
+Added 4 Cl- ion(s) to neutralize net charge (+3.840e).
+Added 7 Cl- ion(s) to neutralize net charge (+7.076e).
+[2026-08-19 18:29:39,037] [WARNING] [ep 0] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 327.7093107700348, 0.0)
+Added 7 Cl- ion(s) to neutralize net charge (+7.076e).
+[2026-08-19 18:30:58,646] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 18:30:59,578] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>D
+Removed 1 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.004e) by adding 1 Na+ ion(s).
+[2026-08-19 18:32:58,327] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep000_0_20.npz
+[2026-08-19 18:32:59,125] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>D
+Removed 1 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.004e) by adding 1 Na+ ion(s).
+[2026-08-19 18:34:59,559] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-19 18:35:00,456] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 109:V>G
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 18:36:49,489] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep000_1_20.npz
+[2026-08-19 18:36:50,231] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>D
+Removed 1 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.004e) by adding 1 Na+ ion(s).
+[2026-08-19 18:38:50,360] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
+[2026-08-19 18:38:51,377] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:A>G
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 18:40:41,659] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep000_2_20.npz
+[2026-08-19 18:40:42,546] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:A>V
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 18:42:40,883] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVVWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep000_3_20.npz
+[2026-08-19 18:42:41,600] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 18:42:41,611] [INFO] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 18:42:41,861] [INFO] 伪标签回流: 152 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1216 条）
+[2026-08-19 18:42:41,864] [INFO] [ep 0] alpha=1.000 buffer=20 | wt=KVFGRCELAAAMKRHGLDNY | 1197s
+[2026-08-19 18:42:47,177] [INFO] [ep 0] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:   0%|          | 0/40 [20:01<?, ?ep/s, alpha=1.000, buffer=20, crash=Y, wt=KVFGRCEL]
RL post-train:   2%|▎         | 1/40 [20:01<13:01:09, 1201.79s/ep, alpha=1.000, buffer=20, crash=Y, wt=KVFGRCEL]Removed 1 H(s) to resolve clashes.
+Added 3 Cl- ion(s) to neutralize net charge (+2.760e).
+Removed 1 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+5.996e).
+Removed 1 H(s) to resolve clashes.
+Added 16 Cl- ion(s) to neutralize net charge (+15.666e).
+Removed 1 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+5.996e).
+[2026-08-19 18:50:58,778] [WARNING] [ep 1] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 318.5333762168884, 0.0)
+Removed 1 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+5.996e).
+[2026-08-19 18:52:16,116] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 18:52:16,979] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 109:V>G
+Removed 1 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[2026-08-19 18:54:08,025] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep001_0_20.npz
+[2026-08-19 18:54:08,841] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 109:V>G
+Removed 1 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[2026-08-19 18:55:59,965] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGAWRNRCKGTDVQAWIRGCRL
+[2026-08-19 18:56:00,702] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 18:56:00,735] [INFO] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 18:56:00,913] [INFO] 伪标签回流: 153 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1224 条）
+
RL post-train:   2%|▎         | 1/40 [33:15<13:01:09, 1201.79s/ep, alpha=0.999, buffer=60, crash=Y, wt=KVFGRCEL]
RL post-train:   5%|▌         | 2/40 [33:15<10:09:07, 961.77s/ep, alpha=0.999, buffer=60, crash=Y, wt=KVFGRCEL] Removed 1 H(s) to resolve clashes.
+Added 3 Cl- ion(s) to neutralize net charge (+2.760e).
+Removed 1 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+5.996e).
+[2026-08-19 19:00:00,056] [WARNING] [ep 2] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 329.6477972269058, 0.0)
+Removed 1 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+5.996e).
+[2026-08-19 19:01:16,679] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 19:01:17,495] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:A>V
+Removed 1 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 19:03:17,155] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGVWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep002_0_20.npz
+[2026-08-19 19:03:17,974] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:D>S
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.076e) by adding 1 Cl- ion(s).
+[2026-08-19 19:05:14,923] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGAWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep002_1_20.npz
+[2026-08-19 19:05:15,571] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 19:05:15,583] [INFO] 新亲本结构已重建: KVFGRCELAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 19:05:15,737] [INFO] 伪标签回流: 155 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1240 条）
+
RL post-train:   5%|▌         | 2/40 [42:30<10:09:07, 961.77s/ep, alpha=0.998, buffer=80, crash=Y, wt=KVFGRCEL]
RL post-train:   8%|▊         | 3/40 [42:30<7:58:30, 775.95s/ep, alpha=0.998, buffer=80, crash=Y, wt=KVFGRCEL] Removed 1 H(s) to resolve clashes.
+Added 3 Cl- ion(s) to neutralize net charge (+2.760e).
+Removed 1 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+5.996e).
+[2026-08-19 19:09:15,567] [WARNING] [ep 3] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 1 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+5.996e).
+[2026-08-19 19:10:34,031] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 19:10:34,878] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 8:L>W
+Removed 1 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 19:12:33,159] [INFO] 存活突变体: KVFGRCEWAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGVWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep003_0_20.npz
+[2026-08-19 19:12:33,962] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:V>G
+Removed 1 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 19:14:29,564] [INFO] 存活突变体: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.84, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep003_1_20.npz
+[2026-08-19 19:14:30,332] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 19:14:30,376] [INFO] 新亲本结构已重建: KVFGRCEWAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 19:14:32,367] [INFO] 伪标签回流: 157 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1256 条）
+
RL post-train:   8%|▊         | 3/40 [51:46<7:58:30, 775.95s/ep, alpha=0.998, buffer=100, crash=Y, wt=KVFGRCEW]
RL post-train:  10%|█         | 4/40 [51:46<6:53:37, 689.37s/ep, alpha=0.998, buffer=100, crash=Y, wt=KVFGRCEW]Removed 1 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+2.449e).
+Removed 1 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+5.684e).
+[2026-08-19 19:18:41,481] [WARNING] [ep 4] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.181034564971924, 330.0, 0.0)
+Removed 1 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+5.684e).
+[2026-08-19 19:19:58,392] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 19:19:59,196] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 25:L>H
+Removed 3 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.516e) by adding 1 Na+ ion(s).
+[2026-08-19 19:21:56,385] [INFO] 存活突变体: KVFGRCEWAAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGVWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep004_0_20.npz
+[2026-08-19 19:21:57,258] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:V>G
+Removed 1 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-19 19:23:48,193] [INFO] 存活突变体: KVFGRCEWAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep004_1_20.npz
+[2026-08-19 19:23:49,224] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:D>S
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.764e) by adding 1 Cl- ion(s).
+[2026-08-19 19:25:49,367] [INFO] 存活突变体: KVFGRCEWAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGVWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep004_2_20.npz
+[2026-08-19 19:25:50,076] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 19:25:50,107] [INFO] 新亲本结构已重建: KVFGRCEWAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 19:25:50,269] [INFO] 伪标签回流: 160 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1280 条）
+
RL post-train:  10%|█         | 4/40 [1:03:04<6:53:37, 689.37s/ep, alpha=0.997, buffer=120, crash=Y, wt=KVFGRCEW]
RL post-train:  12%|█▎        | 5/40 [1:03:04<6:39:43, 685.23s/ep, alpha=0.997, buffer=120, crash=Y, wt=KVFGRCEW]Removed 3 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+2.248e).
+Removed 3 H(s) to resolve clashes.
+Added 5 Cl- ion(s) to neutralize net charge (+5.484e).
+Removed 6 H(s) to resolve clashes.
+Added 15 Cl- ion(s) to neutralize net charge (+14.532e).
+Removed 3 H(s) to resolve clashes.
+Added 5 Cl- ion(s) to neutralize net charge (+5.484e).
+[2026-08-19 19:33:59,799] [WARNING] [ep 5] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 3 H(s) to resolve clashes.
+Added 5 Cl- ion(s) to neutralize net charge (+5.484e).
+[2026-08-19 19:35:20,193] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 19:35:21,122] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:D>S
+Removed 2 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.563e) by adding 2 Cl- ion(s).
+[2026-08-19 19:37:19,716] [INFO] 存活突变体: KVFGRCEWAAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGVWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep005_0_20.npz
+[2026-08-19 19:37:20,614] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 9:A>W
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.906e) by adding 1 Na+ ion(s).
+[2026-08-19 19:39:29,586] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGVWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep005_1_20.npz
+[2026-08-19 19:39:30,448] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:V>G
+Removed 3 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 19:41:21,708] [INFO] 存活突变体: KVFGRCEWAAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep005_2_20.npz
+[2026-08-19 19:41:22,524] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:V>G
+Removed 3 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 19:43:16,733] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWAAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL
+[2026-08-19 19:43:17,803] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:V>G
+Removed 3 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 19:45:09,017] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWAAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL
+[2026-08-19 19:45:09,814] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:D>S
+Removed 2 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.563e) by adding 2 Cl- ion(s).
+[2026-08-19 19:47:10,066] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWAAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGVWRNRCKGTDVQAWIRGCRL
+[2026-08-19 19:47:10,877] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:D>S
+Removed 2 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.563e) by adding 2 Cl- ion(s).
+[2026-08-19 19:49:09,653] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWAAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGVWRNRCKGTDVQAWIRGCRL
+[2026-08-19 19:49:10,416] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 19:49:10,506] [INFO] 新亲本结构已重建: KVFGRCEWAAAMKRHGLDNY... (n_res=129)
+[2026-08-19 19:49:10,754] [INFO] 伪标签回流: 163 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1304 条）
+
RL post-train:  12%|█▎        | 5/40 [1:26:25<6:39:43, 685.23s/ep, alpha=0.996, buffer=160, crash=Y, wt=KVFGRCEW]
RL post-train:  15%|█▌        | 6/40 [1:26:25<8:46:06, 928.42s/ep, alpha=0.996, buffer=160, crash=Y, wt=KVFGRCEW]Removed 2 H(s) to resolve clashes.
+Added 3 Cl- ion(s) to neutralize net charge (+3.327e).
+Removed 2 H(s) to resolve clashes.
+Added 7 Cl- ion(s) to neutralize net charge (+6.563e).
+[2026-08-19 19:53:11,459] [WARNING] [ep 6] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 2 H(s) to resolve clashes.
+Added 7 Cl- ion(s) to neutralize net charge (+6.563e).
+[2026-08-19 19:54:29,853] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 19:54:30,642] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 9:A>W
+Removed 9 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.827e) by adding 2 Na+ ion(s).
+[2026-08-19 19:56:40,365] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGVWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep006_0_20.npz
+[2026-08-19 19:56:41,186] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>D
+Removed 3 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.516e) by adding 2 Na+ ion(s).
+[2026-08-19 19:58:36,242] [INFO] 存活突变体: KVFGRCEWAAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGVWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep006_1_20.npz
+[2026-08-19 19:58:36,901] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 19:58:36,935] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 19:58:37,094] [INFO] 伪标签回流: 165 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1320 条）
+
RL post-train:  15%|█▌        | 6/40 [1:35:51<8:46:06, 928.42s/ep, alpha=0.996, buffer=180, crash=Y, wt=KVFGRCEW]
RL post-train:  18%|█▊        | 7/40 [1:35:51<7:25:31, 810.05s/ep, alpha=0.996, buffer=180, crash=Y, wt=KVFGRCEW]Removed 9 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.938e).
+Removed 9 H(s) to resolve clashes.
+Added 5 Cl- ion(s) to neutralize net charge (+5.173e).
+[2026-08-19 20:02:42,301] [WARNING] [ep 7] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.317744493484497, 330.0, 0.0)
+Removed 9 H(s) to resolve clashes.
+Added 5 Cl- ion(s) to neutralize net charge (+5.173e).
+[2026-08-19 20:04:01,044] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 20:04:01,818] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>D
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.906e) by adding 1 Na+ ion(s).
+[2026-08-19 20:06:03,484] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGVWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep007_0_20.npz
+[2026-08-19 20:06:04,328] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 24:S>H
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[2026-08-19 20:08:14,744] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYHHGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGVWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep007_1_20.npz
+[2026-08-19 20:08:15,629] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:V>G
+Removed 9 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 20:10:07,026] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep007_2_20.npz
+[2026-08-19 20:10:07,996] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:V>G
+Removed 9 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 20:12:02,637] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL
+[2026-08-19 20:12:03,370] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 20:12:03,411] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 20:12:03,602] [INFO] 伪标签回流: 168 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1344 条）
+
RL post-train:  18%|█▊        | 7/40 [1:49:18<7:25:31, 810.05s/ep, alpha=0.995, buffer=200, crash=Y, wt=KVFGRCEW]
RL post-train:  20%|██        | 8/40 [1:49:18<7:11:25, 808.92s/ep, alpha=0.995, buffer=200, crash=Y, wt=KVFGRCEW]Removed 10 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+0.858e).
+Removed 13 H(s) to resolve clashes.
+Added 13 Cl- ion(s) to neutralize net charge (+13.142e).
+[2026-08-19 20:16:05,049] [WARNING] [ep 8] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (2.0, 330.0, 0.0)
+Removed 13 H(s) to resolve clashes.
+Added 13 Cl- ion(s) to neutralize net charge (+13.142e).
+[2026-08-19 20:17:23,654] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 20:17:24,487] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:V>G
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.764e) by adding 1 Cl- ion(s).
+[2026-08-19 20:19:20,427] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep008_0_20.npz
+[2026-08-19 20:19:21,248] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:D>S
+Removed 12 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-19 20:21:25,117] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGVWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep008_1_20.npz
+[2026-08-19 20:21:26,038] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 10:A>W
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-19 20:23:33,316] [INFO] 存活突变体: KVFGRCEWWWAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGVWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep008_2_20.npz
+[2026-08-19 20:23:34,338] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:V>G
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.764e) by adding 1 Cl- ion(s).
+[2026-08-19 20:25:32,233] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL
+[2026-08-19 20:25:33,069] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 110:V>T
+Removed 12 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-19 20:27:33,706] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGTWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.77, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep008_3_20.npz
+[2026-08-19 20:27:34,608] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:T>S
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-19 20:29:33,389] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGVWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep008_4_20.npz
+[2026-08-19 20:29:34,092] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 20:29:34,132] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 20:29:34,299] [INFO] 伪标签回流: 173 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1384 条）
+
RL post-train:  20%|██        | 8/40 [2:06:48<7:11:25, 808.92s/ep, alpha=0.994, buffer=220, crash=Y, wt=KVFGRCEW]
RL post-train:  22%|██▎       | 9/40 [2:06:48<7:36:59, 884.50s/ep, alpha=0.994, buffer=220, crash=Y, wt=KVFGRCEW]Removed 10 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+0.858e).
+Removed 10 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.094e).
+Removed 10 H(s) to resolve clashes.
+Added 14 Cl- ion(s) to neutralize net charge (+13.764e).
+Removed 10 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.008e).
+[2026-08-19 20:37:39,802] [WARNING] [ep 9] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.144686460494995, 329.85897302627563, 0.0)
+Removed 10 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.008e).
+[2026-08-19 20:38:59,580] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 20:39:00,410] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:T>S
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 20:40:55,580] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep009_0_20.npz
+[2026-08-19 20:40:56,343] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:D>S
+Removed 9 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.088e) by adding 1 Cl- ion(s).
+[2026-08-19 20:42:58,989] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.78, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep009_1_20.npz
+[2026-08-19 20:43:00,004] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 42:A>S
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-19 20:44:57,448] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQSTNRNTDGDTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep009_2_20.npz
+[2026-08-19 20:44:58,250] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 66:D>S
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.996e) by adding 1 Cl- ion(s).
+[2026-08-19 20:46:58,333] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQATNRNTDGDTDYGILQINSRWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep009_3_20.npz
+[2026-08-19 20:46:59,018] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 20:46:59,078] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 20:46:59,283] [INFO] 伪标签回流: 177 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1416 条）
+
RL post-train:  22%|██▎       | 9/40 [2:24:13<7:36:59, 884.50s/ep, alpha=0.993, buffer=260, crash=Y, wt=KVFGRCEW]
RL post-train:  25%|██▌       | 10/40 [2:24:13<7:47:01, 934.06s/ep, alpha=0.993, buffer=260, crash=Y, wt=KVFGRCEW]Removed 10 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+0.858e).
+Removed 10 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.094e).
+[2026-08-19 20:51:05,143] [WARNING] [ep 10] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 330.0, 0.0)
+Removed 10 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.094e).
+[2026-08-19 20:52:23,688] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 20:52:24,512] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 66:D>S
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.082e) by adding 1 Cl- ion(s).
+[2026-08-19 20:54:25,315] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGDTDYGILQINSRWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep010_0_20.npz
+[2026-08-19 20:54:26,118] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:D>S
+Removed 9 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.173e) by adding 1 Cl- ion(s).
+[2026-08-19 20:56:30,822] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.79, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep010_1_20.npz
+[2026-08-19 20:56:31,636] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 66:D>S
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.082e) by adding 1 Cl- ion(s).
+[2026-08-19 20:58:29,171] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGDTDYGILQINSRWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL
+[2026-08-19 20:58:29,952] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 66:D>S
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.082e) by adding 1 Cl- ion(s).
+[2026-08-19 21:00:31,410] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGDTDYGILQINSRWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL
+[2026-08-19 21:00:32,221] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:D>S
+Removed 9 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.173e) by adding 1 Cl- ion(s).
+[2026-08-19 21:02:31,977] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL
+[2026-08-19 21:02:32,710] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 21:02:32,757] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 21:02:32,955] [INFO] 伪标签回流: 179 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1432 条）
+[2026-08-19 21:02:33,390] [INFO] [ep 10] Head D 置信度 loss: 0.4114
+[2026-08-19 21:02:33,391] [INFO] [ep 10] alpha=0.993 buffer=280 | wt=KVFGRCEWWAAMKRHGLDNY | 9589s
+[2026-08-19 21:02:33,934] [INFO] [ep 10] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:  25%|██▌       | 10/40 [2:39:48<7:47:01, 934.06s/ep, alpha=0.993, buffer=280, crash=Y, wt=KVFGRCEW]
RL post-train:  28%|██▊       | 11/40 [2:39:48<7:31:32, 934.22s/ep, alpha=0.993, buffer=280, crash=Y, wt=KVFGRCEW]Removed 10 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.846e).
+Removed 10 H(s) to resolve clashes.
+Added 5 Cl- ion(s) to neutralize net charge (+5.082e).
+[2026-08-19 21:06:39,036] [WARNING] [ep 11] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.586200952529907, 325.5290684700012, 0.0)
+Removed 10 H(s) to resolve clashes.
+Added 5 Cl- ion(s) to neutralize net charge (+5.082e).
+[2026-08-19 21:08:01,761] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 21:08:02,628] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:D>S
+Removed 9 H(s) to resolve clashes.
+[solvent_reuse] Pruned 10 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.161e) by adding 1 Cl- ion(s).
+[2026-08-19 21:10:06,635] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGSTDYGILQINSRWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep011_0_20.npz
+[2026-08-19 21:10:07,583] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:D>S
+Removed 9 H(s) to resolve clashes.
+[solvent_reuse] Pruned 10 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.161e) by adding 1 Cl- ion(s).
+[2026-08-19 21:12:11,387] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGSTDYGILQINSRWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL
+[2026-08-19 21:12:12,087] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 21:12:12,125] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 21:12:12,300] [INFO] 伪标签回流: 180 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1440 条）
+
RL post-train:  28%|██▊       | 11/40 [2:49:26<7:31:32, 934.22s/ep, alpha=0.992, buffer=300, crash=Y, wt=KVFGRCEW]
RL post-train:  30%|███       | 12/40 [2:49:26<6:25:27, 825.98s/ep, alpha=0.992, buffer=300, crash=Y, wt=KVFGRCEW]Removed 9 H(s) to resolve clashes.
+Added 3 Cl- ion(s) to neutralize net charge (+2.925e).
+Removed 9 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.161e).
+[2026-08-19 21:16:14,833] [WARNING] [ep 12] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 330.0, 0.0)
+Removed 9 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.161e).
+[2026-08-19 21:17:36,233] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:  30%|███       | 12/40 [2:54:50<6:25:27, 825.98s/ep, alpha=0.992, buffer=320, crash=Y, wt=KVFGRCEW]
RL post-train:  32%|███▎      | 13/40 [2:54:50<5:03:14, 673.89s/ep, alpha=0.992, buffer=320, crash=Y, wt=KVFGRCEW]Removed 9 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.161e).
+[2026-08-19 21:19:00,484] [WARNING] [ep 13] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.146311521530151, 330.0, 0.0)
+Removed 9 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.161e).
+[2026-08-19 21:20:19,045] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:  32%|███▎      | 13/40 [2:57:33<5:03:14, 673.89s/ep, alpha=0.991, buffer=340, crash=Y, wt=KVFGRCEW]
RL post-train:  35%|███▌      | 14/40 [2:57:33<3:45:07, 519.52s/ep, alpha=0.991, buffer=340, crash=Y, wt=KVFGRCEW]Removed 9 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.161e).
+[2026-08-19 21:21:43,592] [WARNING] [ep 14] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 319.2898540496826, 0.0)
+Removed 9 H(s) to resolve clashes.
+Added 6 Cl- ion(s) to neutralize net charge (+6.161e).
+[2026-08-19 21:23:01,378] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 21:23:02,164] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 61:R>T
+Removed 11 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.607e) by adding 2 Na+ ion(s).
+[2026-08-19 21:25:00,603] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGSTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep014_0_20.npz
+[2026-08-19 21:25:01,588] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>D
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.918e) by adding 1 Na+ ion(s).
+[2026-08-19 21:27:07,306] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGDTDYGILQINSRWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep014_1_20.npz
+[2026-08-19 21:27:07,993] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 21:27:08,043] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 21:27:08,273] [INFO] 伪标签回流: 182 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1456 条）
+
RL post-train:  35%|███▌      | 14/40 [3:04:22<3:45:07, 519.52s/ep, alpha=0.990, buffer=360, crash=Y, wt=KVFGRCEW]
RL post-train:  38%|███▊      | 15/40 [3:04:22<3:22:36, 486.27s/ep, alpha=0.990, buffer=360, crash=Y, wt=KVFGRCEW]Removed 11 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.157e).
+Removed 11 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.393e).
+[2026-08-19 21:31:12,163] [WARNING] [ep 15] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 11 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.393e).
+[2026-08-19 21:32:33,467] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 21:32:34,251] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>D
+Removed 12 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.687e) by adding 1 Na+ ion(s).
+[2026-08-19 21:34:36,069] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGDTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep015_0_20.npz
+[2026-08-19 21:34:36,923] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>D
+Removed 12 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.687e) by adding 1 Na+ ion(s).
+[2026-08-19 21:36:38,317] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGDTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL
+[2026-08-19 21:36:39,019] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 21:36:39,065] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 21:36:39,266] [INFO] 伪标签回流: 183 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1464 条）
+
RL post-train:  38%|███▊      | 15/40 [3:13:53<3:22:36, 486.27s/ep, alpha=0.990, buffer=380, crash=Y, wt=KVFGRCEW]
RL post-train:  40%|████      | 16/40 [3:13:53<3:24:42, 511.77s/ep, alpha=0.990, buffer=380, crash=Y, wt=KVFGRCEW]Removed 12 H(s) to resolve clashes.
+Removed 12 H(s) to resolve clashes.
+Added 3 Cl- ion(s) to neutralize net charge (+3.313e).
+[2026-08-19 21:40:41,599] [WARNING] [ep 16] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.946985244750977, 330.0, 0.0)
+Removed 12 H(s) to resolve clashes.
+Added 3 Cl- ion(s) to neutralize net charge (+3.313e).
+[2026-08-19 21:42:02,578] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 21:42:03,408] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:D>S
+Removed 11 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.393e) by adding 1 Cl- ion(s).
+[2026-08-19 21:44:05,983] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGSTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep016_0_20.npz
+[2026-08-19 21:44:06,738] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:D>S
+Removed 11 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.393e) by adding 1 Cl- ion(s).
+[2026-08-19 21:46:10,560] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGSTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL
+[2026-08-19 21:46:11,418] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:D>S
+Removed 11 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.393e) by adding 1 Cl- ion(s).
+[2026-08-19 21:48:13,506] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGSTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL
+[2026-08-19 21:48:14,485] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:D>N
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.893e) by adding 1 Cl- ion(s).
+[2026-08-19 21:50:18,694] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGNTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep016_1_20.npz
+[2026-08-19 21:50:19,412] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 21:50:19,453] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 21:50:20,233] [INFO] 伪标签回流: 185 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1480 条）
+
RL post-train:  40%|████      | 16/40 [3:27:34<3:24:42, 511.77s/ep, alpha=0.989, buffer=400, crash=Y, wt=KVFGRCEW]
RL post-train:  42%|████▎     | 17/40 [3:27:34<3:51:49, 604.76s/ep, alpha=0.989, buffer=400, crash=Y, wt=KVFGRCEW]Removed 11 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.157e).
+Removed 11 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.393e).
+[2026-08-19 21:54:24,538] [WARNING] [ep 17] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 330.0, 0.0)
+Removed 11 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.393e).
+[2026-08-19 21:55:43,937] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 21:55:44,788] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>N
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-19 21:57:49,252] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGNTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep017_0_20.npz
+[2026-08-19 21:57:49,939] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 21:57:49,983] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 21:57:50,188] [INFO] 伪标签回流: 186 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1488 条）
+
RL post-train:  42%|████▎     | 17/40 [3:35:04<3:51:49, 604.76s/ep, alpha=0.988, buffer=420, crash=Y, wt=KVFGRCEW]
RL post-train:  45%|████▌     | 18/40 [3:35:04<3:24:41, 558.23s/ep, alpha=0.988, buffer=420, crash=Y, wt=KVFGRCEW]Removed 13 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+0.658e).
+Removed 13 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+3.893e).
+[2026-08-19 22:01:54,971] [WARNING] [ep 18] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 13 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+3.893e).
+[2026-08-19 22:03:15,531] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 22:03:16,415] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:N>S
+Removed 11 H(s) to resolve clashes.
+[solvent_reuse] Pruned 21 clashing water molecule(s) near mutated residues.
+[2026-08-19 22:05:19,917] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGSTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep018_0_20.npz
+[2026-08-19 22:05:20,825] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:N>D
+Removed 12 H(s) to resolve clashes.
+[solvent_reuse] Pruned 21 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.687e) by adding 1 Na+ ion(s).
+[2026-08-19 22:07:25,982] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGDTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep018_1_20.npz
+[2026-08-19 22:07:26,793] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:N>S
+Removed 11 H(s) to resolve clashes.
+[solvent_reuse] Pruned 21 clashing water molecule(s) near mutated residues.
+[2026-08-19 22:09:26,775] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGSTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL
+[2026-08-19 22:09:27,711] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 25:H>L
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 22 clashing water molecule(s) near mutated residues.
+[2026-08-19 22:11:37,045] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQASNRNTDGNTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep018_2_20.npz
+[2026-08-19 22:11:37,873] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:N>S
+Removed 11 H(s) to resolve clashes.
+[solvent_reuse] Pruned 21 clashing water molecule(s) near mutated residues.
+[2026-08-19 22:13:42,813] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSHGNWVCAAKFESNFNTQASNRNTDGSTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL
+[2026-08-19 22:13:43,536] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 22:13:43,575] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 22:13:43,764] [INFO] 伪标签回流: 188 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1504 条）
+
RL post-train:  45%|████▌     | 18/40 [3:50:58<3:24:41, 558.23s/ep, alpha=0.988, buffer=440, crash=Y, wt=KVFGRCEW]
RL post-train:  48%|████▊     | 19/40 [3:50:58<3:56:56, 676.97s/ep, alpha=0.988, buffer=440, crash=Y, wt=KVFGRCEW]Removed 11 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.157e).
+Removed 11 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.393e).
+[2026-08-19 22:17:49,279] [WARNING] [ep 19] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 11 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.393e).
+[2026-08-19 22:19:05,806] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 22:19:06,780] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 25:H>L
+Removed 11 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[2026-08-19 22:21:18,787] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQASNRNTDGSTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep019_0_20.npz
+[2026-08-19 22:21:19,476] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 22:21:19,516] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 22:21:19,784] [INFO] 伪标签回流: 189 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1512 条）
+
RL post-train:  48%|████▊     | 19/40 [3:58:34<3:56:56, 676.97s/ep, alpha=0.987, buffer=460, crash=Y, wt=KVFGRCEW]
RL post-train:  50%|█████     | 20/40 [3:58:34<3:23:32, 610.63s/ep, alpha=0.987, buffer=460, crash=Y, wt=KVFGRCEW]Removed 11 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.227e).
+Removed 11 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.462e).
+[2026-08-19 22:25:28,030] [WARNING] [ep 20] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 329.39808464050293, 0.0)
+Removed 11 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.462e).
+[2026-08-19 22:26:45,791] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 22:26:46,607] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 39:N>L
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-19 22:28:49,330] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGSTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep020_0_20.npz
+[2026-08-19 22:28:50,010] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 22:28:50,049] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 22:28:50,264] [INFO] 伪标签回流: 190 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1520 条）
+[2026-08-19 22:28:50,270] [INFO] [ep 20] Head D 置信度 loss: 0.3857
+[2026-08-19 22:28:50,270] [INFO] [ep 20] alpha=0.986 buffer=480 | wt=KVFGRCEWWAAMKRHGLDNY | 14765s
+[2026-08-19 22:28:50,909] [INFO] [ep 20] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:  50%|█████     | 20/40 [4:06:05<3:23:32, 610.63s/ep, alpha=0.986, buffer=480, crash=Y, wt=KVFGRCEW]
RL post-train:  52%|█████▎    | 21/40 [4:06:05<2:58:12, 562.75s/ep, alpha=0.986, buffer=480, crash=Y, wt=KVFGRCEW]Removed 13 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.057e).
+Removed 13 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.293e).
+[2026-08-19 22:32:52,559] [WARNING] [ep 21] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 13 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.293e).
+[2026-08-19 22:34:12,978] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 22:34:13,877] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>N
+Removed 15 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 22:36:13,803] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGNTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep021_0_20.npz
+[2026-08-19 22:36:14,443] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 22:36:14,484] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 22:36:14,670] [INFO] 伪标签回流: 191 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1528 条）
+
RL post-train:  52%|█████▎    | 21/40 [4:13:29<2:58:12, 562.75s/ep, alpha=0.986, buffer=500, crash=Y, wt=KVFGRCEW]
RL post-train:  55%|█████▌    | 22/40 [4:13:29<2:38:06, 527.04s/ep, alpha=0.986, buffer=500, crash=Y, wt=KVFGRCEW]Removed 15 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+0.558e).
+Removed 15 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+3.793e).
+[2026-08-19 22:40:18,538] [WARNING] [ep 22] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.778334617614746, 330.0, 0.0)
+Removed 15 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+3.793e).
+[2026-08-19 22:41:39,323] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 22:41:40,124] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 61:T>N
+Removed 16 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[2026-08-19 22:43:39,037] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGNTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep022_0_20.npz
+[2026-08-19 22:43:39,834] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:N>S
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[2026-08-19 22:45:44,172] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGSTDYGILQINSTWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep022_1_20.npz
+[2026-08-19 22:45:44,867] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 22:45:44,913] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 22:45:45,127] [INFO] 伪标签回流: 193 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1544 条）
+
RL post-train:  55%|█████▌    | 22/40 [4:22:59<2:38:06, 527.04s/ep, alpha=0.985, buffer=520, crash=Y, wt=KVFGRCEW]
RL post-train:  57%|█████▊    | 23/40 [4:22:59<2:33:01, 540.07s/ep, alpha=0.985, buffer=520, crash=Y, wt=KVFGRCEW]Removed 16 H(s) to resolve clashes.
+Removed 16 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+3.512e).
+[2026-08-19 22:49:51,654] [WARNING] [ep 23] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 16 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+3.512e).
+[2026-08-19 22:51:10,824] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 22:51:11,709] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:N>S
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 22:53:13,392] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGSTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep023_0_20.npz
+[2026-08-19 22:53:14,188] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 124:I>N
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[2026-08-19 22:55:40,999] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGNTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL (steps=20, Q=0.79, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep023_1_20.npz
+[2026-08-19 22:55:41,710] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 22:55:41,755] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 22:55:41,989] [INFO] 伪标签回流: 195 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1560 条）
+
RL post-train:  57%|█████▊    | 23/40 [4:32:56<2:33:01, 540.07s/ep, alpha=0.984, buffer=540, crash=Y, wt=KVFGRCEW]
RL post-train:  60%|██████    | 24/40 [4:32:56<2:28:33, 557.11s/ep, alpha=0.984, buffer=540, crash=Y, wt=KVFGRCEW]Removed 14 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+0.776e).
+Removed 14 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.011e).
+[2026-08-19 22:59:47,768] [WARNING] [ep 24] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 14 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.011e).
+[2026-08-19 23:01:06,989] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 23:01:07,841] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 124:I>N
+Removed 12 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-19 23:03:18,899] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGSTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep024_0_20.npz
+[2026-08-19 23:03:19,716] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>N
+Removed 16 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-19 23:05:25,223] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGNTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWIRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep024_1_20.npz
+[2026-08-19 23:05:25,983] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 23:05:26,031] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 23:05:26,299] [INFO] 伪标签回流: 197 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1576 条）
+
RL post-train:  60%|██████    | 24/40 [4:42:40<2:28:33, 557.11s/ep, alpha=0.984, buffer=560, crash=Y, wt=KVFGRCEW]
RL post-train:  62%|██████▎   | 25/40 [4:42:40<2:21:19, 565.27s/ep, alpha=0.984, buffer=560, crash=Y, wt=KVFGRCEW]Removed 12 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.205e).
+Removed 12 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.441e).
+[2026-08-19 23:09:31,020] [WARNING] [ep 25] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 12 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.441e).
+[2026-08-19 23:10:47,915] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 23:10:48,737] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>N
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-19 23:12:55,416] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGNTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep025_0_20.npz
+[2026-08-19 23:12:56,399] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>N
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-19 23:14:59,981] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGNTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL
+[2026-08-19 23:15:00,799] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 23:15:00,858] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 23:15:01,096] [INFO] 伪标签回流: 197 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1576 条）
+
RL post-train:  62%|██████▎   | 25/40 [4:52:15<2:21:19, 565.27s/ep, alpha=0.983, buffer=580, crash=Y, wt=KVFGRCEW]
RL post-train:  65%|██████▌   | 26/40 [4:52:15<2:12:33, 568.13s/ep, alpha=0.983, buffer=580, crash=Y, wt=KVFGRCEW]Removed 14 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+0.706e).
+Removed 14 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+3.941e).
+[2026-08-19 23:19:10,238] [WARNING] [ep 26] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 14 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+3.941e).
+[2026-08-19 23:20:29,528] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 23:20:30,357] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:N>S
+Removed 12 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[2026-08-19 23:22:34,396] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGSTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep026_0_20.npz
+[2026-08-19 23:22:35,101] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 23:22:35,154] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 23:22:35,348] [INFO] 伪标签回流: 197 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1576 条）
+
RL post-train:  65%|██████▌   | 26/40 [4:59:49<2:12:33, 568.13s/ep, alpha=0.983, buffer=600, crash=Y, wt=KVFGRCEW]
RL post-train:  68%|██████▊   | 27/40 [4:59:49<1:55:41, 533.96s/ep, alpha=0.983, buffer=600, crash=Y, wt=KVFGRCEW]Removed 12 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.205e).
+Removed 12 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.441e).
+[2026-08-19 23:26:39,520] [WARNING] [ep 27] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 12 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.441e).
+[2026-08-19 23:27:55,910] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 23:27:56,891] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>N
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-19 23:30:06,224] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGNTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep027_0_20.npz
+[2026-08-19 23:30:07,224] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>N
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-19 23:32:13,651] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGNTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL
+[2026-08-19 23:32:14,371] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 23:32:14,437] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 23:32:14,778] [INFO] 伪标签回流: 197 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1576 条）
+
RL post-train:  68%|██████▊   | 27/40 [5:09:29<1:55:41, 533.96s/ep, alpha=0.982, buffer=620, crash=Y, wt=KVFGRCEW]
RL post-train:  70%|███████   | 28/40 [5:09:29<1:49:31, 547.61s/ep, alpha=0.982, buffer=620, crash=Y, wt=KVFGRCEW]Removed 14 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+0.706e).
+Removed 14 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+3.941e).
+[2026-08-19 23:36:20,671] [WARNING] [ep 28] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 14 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+3.941e).
+[2026-08-19 23:37:40,379] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 23:37:41,173] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:N>S
+Removed 12 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 23:39:43,892] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGSTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep028_0_20.npz
+[2026-08-19 23:39:44,733] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 23:39:44,780] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 23:39:45,024] [INFO] 伪标签回流: 197 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1576 条）
+
RL post-train:  70%|███████   | 28/40 [5:16:59<1:49:31, 547.61s/ep, alpha=0.981, buffer=640, crash=Y, wt=KVFGRCEW]
RL post-train:  72%|███████▎  | 29/40 [5:16:59<1:35:02, 518.40s/ep, alpha=0.981, buffer=640, crash=Y, wt=KVFGRCEW]Removed 12 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.205e).
+Removed 12 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.441e).
+[2026-08-19 23:43:51,817] [WARNING] [ep 29] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 12 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.441e).
+[2026-08-19 23:45:06,780] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 23:45:07,694] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>N
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 23:47:15,018] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGNTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep029_0_20.npz
+[2026-08-19 23:47:15,932] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>N
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-19 23:49:21,567] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGNTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL
+[2026-08-19 23:49:22,287] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 23:49:22,342] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 23:49:22,575] [INFO] 伪标签回流: 197 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1576 条）
+
RL post-train:  72%|███████▎  | 29/40 [5:26:37<1:35:02, 518.40s/ep, alpha=0.981, buffer=660, crash=Y, wt=KVFGRCEW]
RL post-train:  75%|███████▌  | 30/40 [5:26:37<1:29:21, 536.14s/ep, alpha=0.981, buffer=660, crash=Y, wt=KVFGRCEW]Removed 14 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+0.706e).
+Removed 14 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+3.941e).
+[2026-08-19 23:53:30,925] [WARNING] [ep 30] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 14 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+3.941e).
+[2026-08-19 23:54:49,607] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-19 23:54:50,414] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:N>S
+Removed 12 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-19 23:56:54,021] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGSTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep030_0_20.npz
+[2026-08-19 23:56:54,823] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:N>S
+Removed 12 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-19 23:58:54,584] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGSTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL
+[2026-08-19 23:58:55,333] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-19 23:58:55,384] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-19 23:58:55,713] [INFO] 伪标签回流: 197 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1576 条）
+[2026-08-19 23:58:55,738] [INFO] [ep 30] Head D 置信度 loss: 0.3736
+[2026-08-19 23:58:55,740] [INFO] [ep 30] alpha=0.980 buffer=680 | wt=KVFGRCEWWAAMKRHGLDNY | 20171s
+[2026-08-19 23:58:56,447] [INFO] [ep 30] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:  75%|███████▌  | 30/40 [5:36:11<1:29:21, 536.14s/ep, alpha=0.980, buffer=680, crash=Y, wt=KVFGRCEW]
RL post-train:  78%|███████▊  | 31/40 [5:36:11<1:22:07, 547.46s/ep, alpha=0.980, buffer=680, crash=Y, wt=KVFGRCEW]Removed 12 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.205e).
+Removed 12 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.441e).
+[2026-08-20 00:03:02,182] [WARNING] [ep 31] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 12 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.441e).
+[2026-08-20 00:04:23,691] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 00:04:24,496] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 51:T>S
+Removed 12 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-20 00:06:24,147] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGSSDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL (steps=20, Q=0.81, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep031_0_20.npz
+[2026-08-20 00:06:25,032] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>N
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[2026-08-20 00:08:32,039] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGNTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep031_1_20.npz
+[2026-08-20 00:08:32,790] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>N
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[2026-08-20 00:10:39,283] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGNTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL
+[2026-08-20 00:10:40,086] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>Y
+Removed 12 H(s) to resolve clashes.
+[solvent_reuse] Pruned 22 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.559e) by adding 1 Na+ ion(s).
+[2026-08-20 00:12:33,129] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYYGYSLGNWVCAAKFESNFLTQASNRNTDGSTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep031_2_20.npz
+[2026-08-20 00:12:33,926] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>N
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[2026-08-20 00:14:44,084] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGNTDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL
+[2026-08-20 00:14:44,782] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 00:14:44,830] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-20 00:14:45,062] [INFO] 伪标签回流: 199 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1592 条）
+
RL post-train:  78%|███████▊  | 31/40 [5:51:59<1:22:07, 547.46s/ep, alpha=0.979, buffer=700, crash=Y, wt=KVFGRCEW]
RL post-train:  80%|████████  | 32/40 [5:51:59<1:29:02, 667.81s/ep, alpha=0.979, buffer=700, crash=Y, wt=KVFGRCEW]Removed 12 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.205e).
+Removed 12 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.441e).
+Removed 12 H(s) to resolve clashes.
+Added 12 Cl- ion(s) to neutralize net charge (+12.172e).
+Removed 12 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.441e).
+[2026-08-20 00:23:01,852] [WARNING] [ep 32] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 12 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+4.441e).
+[2026-08-20 00:24:24,161] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 00:24:25,196] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>N
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-20 00:26:50,922] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGNSDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL (steps=20, Q=0.79, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep032_0_20.npz
+[2026-08-20 00:26:51,823] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>N
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-20 00:29:04,952] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGNSDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL
+[2026-08-20 00:29:05,769] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>Y
+Removed 12 H(s) to resolve clashes.
+[solvent_reuse] Pruned 20 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.559e) by adding 1 Na+ ion(s).
+[2026-08-20 00:31:02,992] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYYGYSLGNWVCAAKFESNFLTQASNRNTDGSSDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep032_1_20.npz
+[2026-08-20 00:31:03,996] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>N
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-20 00:33:29,271] [WARNING] 本集重复存活，跳过重复写盘: KVFGRCEWWAAMKRHGLDNYRGYSLGNWVCAAKFESNFLTQASNRNTDGNSDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL
+[2026-08-20 00:33:30,113] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 00:33:30,187] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-20 00:33:30,533] [INFO] 伪标签回流: 201 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1608 条）
+
RL post-train:  80%|████████  | 32/40 [6:10:45<1:29:02, 667.81s/ep, alpha=0.978, buffer=740, crash=Y, wt=KVFGRCEW]
RL post-train:  82%|████████▎ | 33/40 [6:10:45<1:33:55, 805.11s/ep, alpha=0.978, buffer=740, crash=Y, wt=KVFGRCEW]Removed 14 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+0.706e).
+Removed 14 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+3.941e).
+[2026-08-20 00:37:38,338] [WARNING] [ep 33] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 14 H(s) to resolve clashes.
+Added 4 Cl- ion(s) to neutralize net charge (+3.941e).
+[2026-08-20 00:38:58,687] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 00:38:59,450] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:R>Y
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 19 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.059e) by adding 1 Na+ ion(s).
+[2026-08-20 00:40:58,942] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYYGYSLGNWVCAAKFESNFLTQASNRNTDGNSDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNRGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep033_0_20.npz
+[2026-08-20 00:40:59,803] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 00:40:59,877] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-20 00:41:02,475] [INFO] 伪标签回流: 202 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1616 条）
+
RL post-train:  82%|████████▎ | 33/40 [6:18:17<1:33:55, 805.11s/ep, alpha=0.978, buffer=760, crash=Y, wt=KVFGRCEW]
RL post-train:  85%|████████▌ | 34/40 [6:18:17<1:09:54, 699.17s/ep, alpha=0.978, buffer=760, crash=Y, wt=KVFGRCEW]Removed 14 H(s) to resolve clashes.
+Added 1 Na+ ion(s) to neutralize net charge (-0.694e).
+Removed 14 H(s) to resolve clashes.
+Added 3 Cl- ion(s) to neutralize net charge (+2.941e).
+[2026-08-20 00:45:07,308] [WARNING] [ep 34] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 14 H(s) to resolve clashes.
+Added 3 Cl- ion(s) to neutralize net charge (+2.941e).
+[2026-08-20 00:46:27,022] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:  85%|████████▌ | 34/40 [6:23:41<1:09:54, 699.17s/ep, alpha=0.977, buffer=780, crash=Y, wt=KVFGRCEW]
RL post-train:  88%|████████▊ | 35/40 [6:23:41<48:53, 586.78s/ep, alpha=0.977, buffer=780, crash=Y, wt=KVFGRCEW]  [2026-08-20 00:46:38,123] [WARNING] [ep 35] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 14 H(s) to resolve clashes.
+Added 3 Cl- ion(s) to neutralize net charge (+2.941e).
+[2026-08-20 00:47:59,019] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 00:47:59,974] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 125:R>N
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 19 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.026e) by adding 1 Na+ ion(s).
+[2026-08-20 00:49:54,882] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYYGYSLGNWVCAAKFESNFLTQASNRNTDGNSDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNNGCRL (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep035_0_20.npz
+[2026-08-20 00:49:55,742] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 00:49:55,819] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGLDNY... (n_res=129)
+[2026-08-20 00:49:56,120] [INFO] 伪标签回流: 203 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1624 条）
+
RL post-train:  88%|████████▊ | 35/40 [6:27:10<48:53, 586.78s/ep, alpha=0.977, buffer=800, crash=Y, wt=KVFGRCEW]
RL post-train:  90%|█████████ | 36/40 [6:27:10<31:33, 473.47s/ep, alpha=0.977, buffer=800, crash=Y, wt=KVFGRCEW]Removed 14 H(s) to resolve clashes.
+Added 2 Na+ ion(s) to neutralize net charge (-1.661e).
+Removed 14 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.974e).
+[2026-08-20 00:54:04,842] [WARNING] [ep 36] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 14 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.974e).
+[2026-08-20 00:55:23,917] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:  90%|█████████ | 36/40 [6:32:38<31:33, 473.47s/ep, alpha=0.976, buffer=820, crash=Y, wt=KVFGRCEW]
RL post-train:  92%|█████████▎| 37/40 [6:32:38<21:29, 429.77s/ep, alpha=0.976, buffer=820, crash=Y, wt=KVFGRCEW][2026-08-20 00:55:33,933] [WARNING] [ep 37] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 14 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.974e).
+[2026-08-20 00:56:52,488] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:  92%|█████████▎| 37/40 [6:34:07<21:29, 429.77s/ep, alpha=0.975, buffer=840, crash=Y, wt=KVFGRCEW]
RL post-train:  95%|█████████▌| 38/40 [6:34:07<10:54, 327.41s/ep, alpha=0.975, buffer=840, crash=Y, wt=KVFGRCEW][2026-08-20 00:57:02,298] [WARNING] [ep 38] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 14 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.974e).
+[2026-08-20 00:58:23,662] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+
RL post-train:  95%|█████████▌| 38/40 [6:35:38<10:54, 327.41s/ep, alpha=0.975, buffer=860, crash=Y, wt=KVFGRCEW]
RL post-train:  98%|█████████▊| 39/40 [6:35:38<04:16, 256.54s/ep, alpha=0.975, buffer=860, crash=Y, wt=KVFGRCEW][2026-08-20 00:58:32,486] [WARNING] [ep 39] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 14 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.974e).
+[2026-08-20 00:59:50,588] [INFO] 父引擎就绪（溶剂复用路径，129 aa）
+[2026-08-20 00:59:51,533] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 17:L>W
+Removed 15 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-20 01:02:03,490] [INFO] 存活突变体: KVFGRCEWWAAMKRHGWDNYYGYSLGNWVCAAKFESNFLTQASNRNTDGNSDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNNGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep039_0_20.npz
+[2026-08-20 01:02:04,299] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 47:T>N
+Removed 14 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-20 01:03:59,083] [INFO] 存活突变体: KVFGRCEWWAAMKRHGLDNYYGYSLGNWVCAAKFESNFLTQASNRNNDGNSDYGILQINSNWWCNSGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWGGWRNRCKGTDVQAWNNGCRL (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_8d8f_ep039_1_20.npz
+[2026-08-20 01:03:59,793] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 01:03:59,888] [INFO] 新亲本结构已重建: KVFGRCEWWAAMKRHGWDNY... (n_res=129)
+[2026-08-20 01:04:00,146] [INFO] 伪标签回流: 205 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1640 条）
+[2026-08-20 01:04:01,434] [INFO] [ep 39] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:  98%|█████████▊| 39/40 [6:41:16<04:16, 256.54s/ep, alpha=0.974, buffer=880, crash=Y, wt=KVFGRCEW]
RL post-train: 100%|██████████| 40/40 [6:41:16<00:00, 280.90s/ep, alpha=0.974, buffer=880, crash=Y, wt=KVFGRCEW]
RL post-train: 100%|██████████| 40/40 [6:41:16<00:00, 601.90s/ep, alpha=0.974, buffer=880, crash=Y, wt=KVFGRCEW]
+2026-08-20 01:04:43.739071: I external/local_xla/xla/tsl/cuda/cudart_stub.cc:31] Could not find cuda drivers on your machine, GPU will not be used.
+2026-08-20 01:04:45.206749: I tensorflow/core/platform/cpu_feature_guard.cc:210] This TensorFlow binary is optimized to use available CPU instructions in performance-critical operations.
+To enable the following instructions: AVX2 FMA, in other operations, rebuild TensorFlow with the appropriate compiler flags.
+2026-08-20 01:05:32.118531: I external/local_xla/xla/tsl/cuda/cudart_stub.cc:31] Could not find cuda drivers on your machine, GPU will not be used.
+[2026-08-20 01:06:08,340] [WARNING] 1JVT 多链 [('A', 124), ('B', 124)]，取最长链 A （path B 按 res_seq 分组需单链；传 chain_id 可指定）
+[2026-08-20 01:06:08,421] [INFO] 数据管线初始结构: KETAAAKFERQHMDSSTSAASSSNYCNQMM... n_res=124
+[2026-08-20 01:06:08,536] [INFO] [自检] reward归一化: True | reward±10clip: True | clampA+B: True | place_sidechain: True | pred_ca默认: True
+[2026-08-20 01:06:08,537] [INFO] [自检] sac防护: u_hist归一化: True | 输入清洗: True | y/q clip: True | q clip: True | y兜底: True | NaN梯度置零: True
+Added 2 Cl- ion(s) to neutralize net charge (+2.199e).
+[2026-08-20 01:08:54,214] [INFO] 快筛通过: U=-782165.7 kcal/mol，进入双路探索
+2026-08-20 01:08:54.319683: E external/local_xla/xla/stream_executor/cuda/cuda_platform.cc:51] failed call to cuInit: INTERNAL: CUDA error: Failed call to cuInit: UNKNOWN ERROR (303)
+/public/home/redelectricity/miniconda3/envs/spice/lib/python3.12/site-packages/keras/src/saving/saving_lib.py:685: UserWarning: A total of 3 objects could not be loaded. Example error message for object <Dense name=head_b_mutation, built=True>:
+
+Layer 'head_b_mutation' expected 2 variables, but received 0 variables during loading. Expected: ['kernel', 'bias']
+
+List of objects that could not be loaded:
+[<Dense name=head_b_mutation, built=True>, <Dense name=head_c_env_offset, built=True>, <Dense name=head_d_confidence, built=True>]
+  warnings.warn(msg)
+[2026-08-20 01:08:59,115] [INFO] 已加载 Pre-train 权重: checkpoints/pretrain/best_weights.weights.h5
+
RL post-train:   0%|          | 0/40 [00:00<?, ?ep/s]Added 2 Cl- ion(s) to neutralize net charge (+2.199e).
+[2026-08-20 01:11:53,004] [INFO] [anchor] m5 基线: 0.021
+Added 3 Na+ ion(s) to neutralize net charge (-3.256e).
+Added 2 Cl- ion(s) to neutralize net charge (+2.199e).
+[2026-08-20 01:15:55,369] [WARNING] [ep 0] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 293.4696114137769, 0.0)
+Added 2 Cl- ion(s) to neutralize net charge (+2.199e).
+[2026-08-20 01:17:14,723] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 01:17:15,570] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:S>M
+Removed 5 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-20 01:19:16,740] [INFO] 存活突变体: KETAAAKFERQHMDSSTSAAMSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep000_0_20.npz
+[2026-08-20 01:19:17,648] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:S>V
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-20 01:21:23,857] [INFO] 存活突变体: KETAAAKFERQHMDSSTSAAVSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep000_1_20.npz
+[2026-08-20 01:21:24,606] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 17:T>P;18:S>P
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-20 01:23:31,435] [INFO] 存活突变体: KETAAAKFERQHMDSSPPAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.88, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep000_2_20.npz
+[2026-08-20 01:23:32,236] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:S>M
+Removed 5 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-20 01:25:32,392] [WARNING] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSTSAAMSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV
+[2026-08-20 01:25:33,176] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:S>V
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-20 01:27:37,272] [WARNING] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSTSAAVSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV
+[2026-08-20 01:27:37,964] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 01:27:37,975] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSTSAA... (n_res=124)
+[2026-08-20 01:27:38,266] [INFO] 伪标签回流: 208 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1664 条）
+[2026-08-20 01:27:38,270] [INFO] [ep 0] alpha=1.000 buffer=20 | wt=KETAAAKFERQHMDSSTSAA | 1119s
+[2026-08-20 01:27:42,303] [INFO] [ep 0] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:   0%|          | 0/40 [18:42<?, ?ep/s, alpha=1.000, buffer=20, crash=Y, wt=KETAAAKF]
RL post-train:   2%|▎         | 1/40 [18:42<12:09:45, 1122.70s/ep, alpha=1.000, buffer=20, crash=Y, wt=KETAAAKF]Removed 5 H(s) to resolve clashes.
+Added 4 Na+ ion(s) to neutralize net charge (-3.763e).
+Removed 5 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.692e).
+[2026-08-20 01:31:53,578] [WARNING] [ep 1] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 285.96857999265194, 0.0)
+Removed 5 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.692e).
+[2026-08-20 01:33:11,200] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 01:33:12,002] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 17:T>P
+Removed 5 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-20 01:35:12,669] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep001_0_20.npz
+[2026-08-20 01:35:13,471] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 66:K>M;67:N>M
+Removed 9 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.807e) by adding 2 Na+ ion(s).
+[2026-08-20 01:37:10,145] [INFO] 存活突变体: KETAAAKFERQHMDSSTSAAMSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACMMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep001_1_20.npz
+[2026-08-20 01:37:10,933] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 109:A>V
+Removed 7 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.501e) by adding 1 Na+ ion(s).
+[2026-08-20 01:39:02,777] [INFO] 存活突变体: KETAAAKFERQHMDSSTSAAMSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVVCEGNPYVPVHFDASV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep001_2_20.npz
+[2026-08-20 01:39:03,502] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 103:N>V
+Removed 5 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-20 01:40:57,554] [INFO] 存活突变体: KETAAAKFERQHMDSSTSAAMSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQAVKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep001_3_20.npz
+[2026-08-20 01:40:58,523] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 109:A>P
+Removed 8 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-20 01:42:52,682] [INFO] 存活突变体: KETAAAKFERQHMDSSTSAAMSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVPCEGNPYVPVHFDASV (steps=20, Q=0.88, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep001_4_20.npz
+[2026-08-20 01:42:53,504] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 01:42:53,530] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 01:42:53,792] [INFO] 伪标签回流: 213 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1704 条）
+
RL post-train:   2%|▎         | 1/40 [33:54<12:09:45, 1122.70s/ep, alpha=0.999, buffer=40, crash=Y, wt=KETAAAKF]
RL post-train:   5%|▌         | 2/40 [33:54<10:32:21, 998.47s/ep, alpha=0.999, buffer=40, crash=Y, wt=KETAAAKF] Removed 5 H(s) to resolve clashes.
+Added 4 Na+ ion(s) to neutralize net charge (-3.763e).
+Removed 5 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.692e).
+[2026-08-20 01:46:56,117] [WARNING] [ep 2] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.51264762878418, 292.810131624341, 0.0)
+Removed 5 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.692e).
+[2026-08-20 01:48:17,288] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 01:48:18,065] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:M>V;109:A>P
+Removed 3 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-20 01:50:23,482] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAVSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVPCEGNPYVPVHFDASV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep002_0_20.npz
+[2026-08-20 01:50:24,393] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 66:K>M
+Removed 7 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.648e) by adding 2 Na+ ion(s).
+[2026-08-20 01:52:15,028] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACMNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep002_1_20.npz
+[2026-08-20 01:52:15,822] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 109:A>V
+Removed 7 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.501e) by adding 1 Na+ ion(s).
+[2026-08-20 01:54:10,893] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVVCEGNPYVPVHFDASV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep002_2_20.npz
+[2026-08-20 01:54:11,753] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 77:S>V
+Removed 5 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-20 01:56:01,923] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYVTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep002_3_20.npz
+[2026-08-20 01:56:02,892] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 22:S>M;66:K>M
+Removed 7 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.648e) by adding 2 Na+ ion(s).
+[2026-08-20 01:58:08,442] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACMNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep002_4_20.npz
+[2026-08-20 01:58:09,214] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 109:A>W
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.237e) by adding 1 Na+ ion(s).
+[2026-08-20 02:00:17,492] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVWCEGNPYVPVHFDASV (steps=20, Q=0.85, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep002_5_20.npz
+[2026-08-20 02:00:18,214] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 02:00:18,228] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 02:00:19,600] [INFO] 伪标签回流: 219 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1752 条）
+
RL post-train:   5%|▌         | 2/40 [51:20<10:32:21, 998.47s/ep, alpha=0.999, buffer=60, crash=Y, wt=KETAAAKF]
RL post-train:   8%|▊         | 3/40 [51:20<10:29:03, 1020.09s/ep, alpha=0.999, buffer=60, crash=Y, wt=KETAAAKF]Removed 3 H(s) to resolve clashes.
+Added 3 Na+ ion(s) to neutralize net charge (-3.431e).
+Removed 3 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+2.024e).
+[2026-08-20 02:04:22,801] [WARNING] [ep 3] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 290.95345871150494, 0.0)
+Removed 3 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+2.024e).
+[2026-08-20 02:05:40,355] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 02:05:41,338] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:V>M
+Removed 8 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-20 02:07:47,443] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVPCEGNPYVPVHFDASV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep003_0_20.npz
+[2026-08-20 02:07:48,224] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 66:K>M
+Removed 5 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.316e) by adding 1 Na+ ion(s).
+[2026-08-20 02:09:40,628] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAVSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACMNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVPCEGNPYVPVHFDASV (steps=20, Q=0.87, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep003_1_20.npz
+[2026-08-20 02:09:41,545] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:V>M
+Removed 8 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-20 02:11:44,765] [WARNING] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSPSAAMSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVPCEGNPYVPVHFDASV
+[2026-08-20 02:11:45,520] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:V>M;22:S>M;67:N>M
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.642e) by adding 1 Na+ ion(s).
+[2026-08-20 02:13:48,778] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVPCEGNPYVPVHFDASV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep003_2_20.npz
+[2026-08-20 02:13:49,784] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:V>M;108:V>W;109:P>W
+Removed 11 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.395e) by adding 1 Na+ ion(s).
+[2026-08-20 02:15:58,682] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep003_3_20.npz
+[2026-08-20 02:15:59,447] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 02:15:59,469] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 02:16:01,380] [INFO] 伪标签回流: 223 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1784 条）
+
RL post-train:   8%|▊         | 3/40 [1:07:01<10:29:03, 1020.09s/ep, alpha=0.998, buffer=80, crash=Y, wt=KETAAAKF]
RL post-train:  10%|█         | 4/40 [1:07:01<9:53:30, 989.17s/ep, alpha=0.998, buffer=80, crash=Y, wt=KETAAAKF]  Removed 8 H(s) to resolve clashes.
+Added 4 Na+ ion(s) to neutralize net charge (-3.938e).
+Removed 8 H(s) to resolve clashes.
+Added 11 Cl- ion(s) to neutralize net charge (+11.217e).
+[2026-08-20 02:20:06,583] [WARNING] [ep 4] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (3.861718475818634, 308.24191205203533, 0.0)
+Removed 8 H(s) to resolve clashes.
+Added 11 Cl- ion(s) to neutralize net charge (+11.217e).
+[2026-08-20 02:21:24,314] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 02:21:25,107] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 22:S>M;67:N>M
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-20 02:23:29,956] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVPCEGNPYVPVHFDASV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep004_0_20.npz
+[2026-08-20 02:23:30,861] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 108:V>W;109:P>W
+Removed 11 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.694e) by adding 1 Na+ ion(s).
+[2026-08-20 02:25:37,621] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep004_1_20.npz
+[2026-08-20 02:25:38,514] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 66:K>M;67:N>M
+Removed 12 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.282e) by adding 1 Na+ ion(s).
+[2026-08-20 02:27:38,860] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACMMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVPCEGNPYVPVHFDASV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep004_2_20.npz
+[2026-08-20 02:27:39,661] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 22:S>M
+Removed 8 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-20 02:30:01,827] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVPCEGNPYVPVHFDASV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep004_3_20.npz
+[2026-08-20 02:30:02,579] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 02:30:02,619] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 02:30:02,889] [INFO] 伪标签回流: 227 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1816 条）
+
RL post-train:  10%|█         | 4/40 [1:21:03<9:53:30, 989.17s/ep, alpha=0.998, buffer=100, crash=Y, wt=KETAAAKF]
RL post-train:  12%|█▎        | 5/40 [1:21:03<9:05:57, 935.92s/ep, alpha=0.998, buffer=100, crash=Y, wt=KETAAAKF]Removed 10 H(s) to resolve clashes.
+Added 4 Na+ ion(s) to neutralize net charge (-4.097e).
+Removed 10 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.358e).
+[2026-08-20 02:34:08,048] [WARNING] [ep 5] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 315.39094588160515, 0.0)
+Removed 10 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.358e).
+[2026-08-20 02:35:26,930] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 02:35:27,940] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 50:S>G
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-20 02:37:20,611] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHEGLADVQAVCSQKNVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVPCEGNPYVPVHFDASV (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep005_0_20.npz
+[2026-08-20 02:37:21,404] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 108:V>W
+Removed 11 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-20 02:39:26,985] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWPCEGNPYVPVHFDASV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep005_1_20.npz
+[2026-08-20 02:39:28,003] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 108:V>W;109:P>W
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.554e) by adding 1 Na+ ion(s).
+[2026-08-20 02:41:35,943] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASV (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep005_2_20.npz
+[2026-08-20 02:41:36,713] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 02:41:36,764] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 02:41:37,130] [INFO] 伪标签回流: 230 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1840 条）
+
RL post-train:  12%|█▎        | 5/40 [1:32:37<9:05:57, 935.92s/ep, alpha=0.997, buffer=120, crash=Y, wt=KETAAAKF]
RL post-train:  15%|█▌        | 6/40 [1:32:37<8:03:47, 853.75s/ep, alpha=0.997, buffer=120, crash=Y, wt=KETAAAKF]Removed 10 H(s) to resolve clashes.
+Added 4 Na+ ion(s) to neutralize net charge (-4.097e).
+Removed 10 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.358e).
+[2026-08-20 02:45:42,723] [WARNING] [ep 6] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.216901183128357, 324.8236851096153, 0.0)
+Removed 10 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.358e).
+[2026-08-20 02:47:21,242] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 02:47:22,023] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 108:V>W;109:P>W
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.554e) by adding 1 Na+ ion(s).
+[2026-08-20 02:49:28,442] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHEGLADVQAVCSQKNVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASV (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep006_0_20.npz
+[2026-08-20 02:49:29,405] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 108:V>W
+Removed 11 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-20 02:51:33,122] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHEGLADVQAVCSQKNVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWPCEGNPYVPVHFDASV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep006_1_20.npz
+[2026-08-20 02:51:34,116] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 18:S>L
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[2026-08-20 02:53:37,296] [INFO] 存活突变体: KETAAAKFERQHMDSSPLAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHEGLADVQAVCSQKNVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVPCEGNPYVPVHFDASV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep006_2_20.npz
+[2026-08-20 02:53:38,223] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 108:V>W
+Removed 11 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-20 02:55:42,680] [WARNING] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHEGLADVQAVCSQKNVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWPCEGNPYVPVHFDASV
+[2026-08-20 02:55:43,688] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 16:S>L;17:P>L;18:S>L
+Removed 12 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-20 02:57:49,766] [INFO] 存活突变体: KETAAAKFERQHMDSLLLAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHEGLADVQAVCSQKNVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVPCEGNPYVPVHFDASV (steps=20, Q=0.85, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep006_3_20.npz
+[2026-08-20 02:57:50,492] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:M>V;108:V>W
+Removed 8 H(s) to resolve clashes.
+[solvent_reuse] Pruned 16 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.584e) by adding 1 Cl- ion(s).
+[2026-08-20 03:00:01,163] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAVMSNYCNQMMKSRNLTKDRCKPVNTFVHEGLADVQAVCSQKNVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWPCEGNPYVPVHFDASV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep006_4_20.npz
+[2026-08-20 03:00:02,026] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 49:E>G;109:P>H
+Removed 8 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.496e) by adding 1 Cl- ion(s).
+[2026-08-20 03:02:07,528] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHGGLADVQAVCSQKNVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVHCEGNPYVPVHFDASV (steps=20, Q=0.86, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep006_5_20.npz
+[2026-08-20 03:02:08,300] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 03:02:08,356] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 03:02:08,747] [INFO] 伪标签回流: 236 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1888 条）
+
RL post-train:  15%|█▌        | 6/40 [1:53:09<8:03:47, 853.75s/ep, alpha=0.996, buffer=140, crash=Y, wt=KETAAAKF]
RL post-train:  18%|█▊        | 7/40 [1:53:09<8:57:30, 977.29s/ep, alpha=0.996, buffer=140, crash=Y, wt=KETAAAKF]Removed 13 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-5.009e).
+Removed 13 H(s) to resolve clashes.
+[2026-08-20 03:06:14,432] [WARNING] [ep 7] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (6.0, 290.22014954686165, 0.0)
+Removed 13 H(s) to resolve clashes.
+[2026-08-20 03:07:31,782] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 03:07:32,512] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 51:L>G
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-20 03:09:24,295] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHEGGADVQAVCSQKNVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASV (steps=20, Q=0.81, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep007_0_20.npz
+[2026-08-20 03:09:25,035] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 49:E>Q;62:N>Q;63:V>Q
+Removed 17 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[2026-08-20 03:11:31,075] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHQGLADVQAVCSQKQQACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASV (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep007_1_20.npz
+[2026-08-20 03:11:31,890] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 03:11:31,938] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 03:11:32,177] [INFO] 伪标签回流: 238 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1904 条）
+
RL post-train:  18%|█▊        | 7/40 [2:02:32<8:57:30, 977.29s/ep, alpha=0.996, buffer=160, crash=Y, wt=KETAAAKF]
RL post-train:  20%|██        | 8/40 [2:02:32<7:30:57, 845.53s/ep, alpha=0.996, buffer=160, crash=Y, wt=KETAAAKF]Removed 13 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-4.964e).
+Removed 13 H(s) to resolve clashes.
+Added 5 Cl- ion(s) to neutralize net charge (+5.192e).
+[2026-08-20 03:15:36,504] [WARNING] [ep 8] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (4.0, 311.768212556839, 0.0)
+Removed 13 H(s) to resolve clashes.
+Added 5 Cl- ion(s) to neutralize net charge (+5.192e).
+[2026-08-20 03:16:55,637] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 03:16:56,414] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 62:N>Q
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-20 03:19:02,846] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHEGGADVQAVCSQKQVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASV (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep008_0_20.npz
+[2026-08-20 03:19:03,825] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 49:E>G
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 9 clashing water molecule(s) near mutated residues.
+[2026-08-20 03:20:57,749] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHGGGADVQAVCSQKNVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASV (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep008_1_20.npz
+[2026-08-20 03:20:58,495] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 21:M>V
+Removed 10 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.575e) by adding 1 Cl- ion(s).
+[2026-08-20 03:23:10,307] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAVMSNYCNQMMKSRNLTKDRCKPVNTFVHEGGADVQAVCSQKNVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASV (steps=20, Q=0.81, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep008_2_20.npz
+[2026-08-20 03:23:11,103] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 122:A>S;124:V>S
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 10 clashing water molecule(s) near mutated residues.
+[2026-08-20 03:25:20,923] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHEGGADVQAVCSQKNVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep008_3_20.npz
+[2026-08-20 03:25:21,744] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 49:E>G;62:N>Q
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-20 03:27:28,168] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASV (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep008_4_20.npz
+[2026-08-20 03:27:28,963] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 03:27:29,052] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 03:27:29,326] [INFO] 伪标签回流: 243 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1944 条）
+
RL post-train:  20%|██        | 8/40 [2:18:29<7:30:57, 845.53s/ep, alpha=0.995, buffer=180, crash=Y, wt=KETAAAKF]
RL post-train:  22%|██▎       | 9/40 [2:18:29<7:34:53, 880.42s/ep, alpha=0.995, buffer=180, crash=Y, wt=KETAAAKF]Removed 13 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-4.964e).
+Removed 13 H(s) to resolve clashes.
+[2026-08-20 03:31:35,209] [WARNING] [ep 9] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (7.495332360267639, 288.228639125824, 0.0)
+Removed 13 H(s) to resolve clashes.
+[2026-08-20 03:32:58,426] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 03:32:59,194] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 49:E>G
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.492e) by adding 1 Cl- ion(s).
+[2026-08-20 03:34:54,365] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASV (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep009_0_20.npz
+[2026-08-20 03:34:55,364] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 122:A>S;124:V>S
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[2026-08-20 03:37:09,489] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHEGGADVQAVCSQKQVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.80, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep009_1_20.npz
+[2026-08-20 03:37:10,230] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:V>K;49:E>G
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+2.492e) by adding 2 Cl- ion(s).
+[2026-08-20 03:39:25,842] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASV (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep009_2_20.npz
+[2026-08-20 03:39:26,857] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 124:V>S
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[2026-08-20 03:41:35,160] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHEGGADVQAVCSQKQVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASS (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep009_3_20.npz
+[2026-08-20 03:41:36,075] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 61:K>Q
+Removed 15 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.103e) by adding 1 Na+ ion(s).
+[2026-08-20 03:43:40,630] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHEGGADVQAVCSQQQVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASV (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep009_4_20.npz
+[2026-08-20 03:43:41,368] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 49:E>G
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.492e) by adding 1 Cl- ion(s).
+[2026-08-20 03:45:38,054] [WARNING] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASV
+[2026-08-20 03:45:38,965] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 03:45:39,015] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 03:45:39,296] [INFO] 伪标签回流: 248 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 1984 条）
+
RL post-train:  22%|██▎       | 9/40 [2:36:39<7:34:53, 880.42s/ep, alpha=0.994, buffer=200, crash=Y, wt=KETAAAKF]
RL post-train:  25%|██▌       | 10/40 [2:36:39<7:52:33, 945.12s/ep, alpha=0.994, buffer=200, crash=Y, wt=KETAAAKF]Removed 13 H(s) to resolve clashes.
+Added 4 Na+ ion(s) to neutralize net charge (-3.964e).
+Removed 13 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.492e).
+[2026-08-20 03:49:41,551] [WARNING] [ep 10] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 263.98310678452253, 0.0)
+Removed 13 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.492e).
+[2026-08-20 03:50:59,590] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 03:51:00,387] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 122:A>S;124:V>S
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-20 03:53:11,963] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.84, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep010_0_20.npz
+[2026-08-20 03:53:12,739] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:V>K
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.492e) by adding 1 Cl- ion(s).
+[2026-08-20 03:55:17,729] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASV (steps=20, Q=0.81, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep010_1_20.npz
+[2026-08-20 03:55:18,507] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:V>K
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.492e) by adding 1 Cl- ion(s).
+[2026-08-20 03:57:20,873] [WARNING] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDASV
+[2026-08-20 03:57:21,713] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 03:57:21,767] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 03:57:22,100] [INFO] 伪标签回流: 250 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 2000 条）
+[2026-08-20 03:57:22,966] [INFO] [ep 10] Head D 置信度 loss: 0.2969
+[2026-08-20 03:57:22,967] [INFO] [ep 10] alpha=0.994 buffer=220 | wt=KETAAAKFERQHMDSSPSAA | 10104s
+[2026-08-20 03:57:23,623] [INFO] [ep 10] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:  25%|██▌       | 10/40 [2:48:24<7:52:33, 945.12s/ep, alpha=0.994, buffer=220, crash=Y, wt=KETAAAKF]
RL post-train:  28%|██▊       | 11/40 [2:48:24<7:01:11, 871.42s/ep, alpha=0.994, buffer=220, crash=Y, wt=KETAAAKF]Removed 13 H(s) to resolve clashes.
+Added 4 Na+ ion(s) to neutralize net charge (-3.964e).
+Removed 13 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.492e).
+[2026-08-20 04:01:27,856] [WARNING] [ep 11] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 328.7758255004883, 0.0)
+Removed 13 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.492e).
+[2026-08-20 04:02:46,727] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 04:02:47,521] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:V>K
+Removed 13 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+1.492e) by adding 1 Cl- ion(s).
+[2026-08-20 04:05:12,973] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.82, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep011_0_20.npz
+[2026-08-20 04:05:13,776] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 81:I>H
+Removed 17 H(s) to resolve clashes.
+[solvent_reuse] Pruned 11 clashing water molecule(s) near mutated residues.
+[2026-08-20 04:07:25,619] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPVNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSHTDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep011_1_20.npz
+[2026-08-20 04:07:26,339] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 04:07:26,414] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 04:07:26,788] [INFO] 伪标签回流: 252 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 2016 条）
+
RL post-train:  28%|██▊       | 11/40 [2:58:27<7:01:11, 871.42s/ep, alpha=0.993, buffer=240, crash=Y, wt=KETAAAKF]
RL post-train:  30%|███       | 12/40 [2:58:27<6:08:34, 789.81s/ep, alpha=0.993, buffer=240, crash=Y, wt=KETAAAKF]Removed 13 H(s) to resolve clashes.
+Added 3 Na+ ion(s) to neutralize net charge (-3.304e).
+Removed 13 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+2.492e).
+[2026-08-20 04:11:31,532] [WARNING] [ep 12] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 261.0563010275364, 0.0)
+Removed 13 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+2.492e).
+[2026-08-20 04:12:48,845] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 04:12:49,610] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 82:T>H
+Removed 15 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-20 04:15:15,960] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSIHDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep012_0_20.npz
+[2026-08-20 04:15:16,727] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 102:A>Y
+Removed 15 H(s) to resolve clashes.
+[solvent_reuse] Pruned 18 clashing water molecule(s) near mutated residues.
+[2026-08-20 04:17:23,911] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQYNKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.83, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep012_1_20.npz
+[2026-08-20 04:17:24,680] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 42:P>K
+Removed 22 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-20 04:19:27,788] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKKKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.79, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep012_2_20.npz
+[2026-08-20 04:19:28,550] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 82:T>H
+Removed 15 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[2026-08-20 04:22:01,553] [WARNING] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSIHDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDSSS
+[2026-08-20 04:22:02,218] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 04:22:02,288] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 04:22:03,698] [INFO] 伪标签回流: 255 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 2040 条）
+
RL post-train:  30%|███       | 12/40 [3:13:04<6:08:34, 789.81s/ep, alpha=0.993, buffer=260, crash=Y, wt=KETAAAKF]
RL post-train:  32%|███▎      | 13/40 [3:13:04<6:07:17, 816.20s/ep, alpha=0.993, buffer=260, crash=Y, wt=KETAAAKF]Removed 15 H(s) to resolve clashes.
+Added 4 Na+ ion(s) to neutralize net charge (-3.507e).
+Removed 15 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+2.288e).
+[2026-08-20 04:26:11,135] [WARNING] [ep 13] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 314.4817810058594, 0.0)
+Removed 15 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+2.288e).
+[2026-08-20 04:27:31,350] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 04:27:32,201] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 101:Q>Y;103:N>Y
+Removed 26 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.124e) by adding 1 Na+ ion(s).
+[2026-08-20 04:29:41,977] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSIHDCRETGSSKYPNCAYKTTYAYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.83, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep013_0_20.npz
+[2026-08-20 04:29:42,927] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 81:I>H
+Removed 19 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-20 04:32:14,215] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSHHDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.82, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep013_1_20.npz
+[2026-08-20 04:32:14,984] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 81:I>H
+Removed 19 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-20 04:34:31,912] [WARNING] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSHHDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDSSS
+[2026-08-20 04:34:32,739] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 81:I>H
+Removed 19 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-20 04:36:50,082] [WARNING] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSHHDCRETGSSKYPNCAYKTTQANKHIIWWCEGNPYVPVHFDSSS
+[2026-08-20 04:36:50,725] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 04:36:50,820] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 04:36:51,174] [INFO] 伪标签回流: 257 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 2056 条）
+
RL post-train:  32%|███▎      | 13/40 [3:27:51<6:07:17, 816.20s/ep, alpha=0.992, buffer=280, crash=Y, wt=KETAAAKF]
RL post-train:  35%|███▌      | 14/40 [3:27:51<6:03:00, 837.73s/ep, alpha=0.992, buffer=280, crash=Y, wt=KETAAAKF]Removed 25 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-5.319e).
+Removed 26 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+0.876e).
+[2026-08-20 04:40:55,264] [WARNING] [ep 14] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 301.43864193558693, 0.0)
+Removed 26 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+0.876e).
+[2026-08-20 04:42:12,193] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 04:42:12,983] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 102:A>Y
+Removed 24 H(s) to resolve clashes.
+[solvent_reuse] Pruned 20 clashing water molecule(s) near mutated residues.
+[2026-08-20 04:44:22,189] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSIHDCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.79, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep014_0_20.npz
+[2026-08-20 04:44:23,166] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 81:I>H
+Removed 30 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.629e) by adding 1 Na+ ion(s).
+[2026-08-20 04:46:32,286] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSHHDCRETGSSKYPNCAYKTTYAYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep014_1_20.npz
+[2026-08-20 04:46:33,308] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 81:I>H
+Removed 30 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.629e) by adding 1 Na+ ion(s).
+[2026-08-20 04:48:42,033] [WARNING] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSHHDCRETGSSKYPNCAYKTTYAYKHIIWWCEGNPYVPVHFDSSS
+[2026-08-20 04:48:42,840] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 81:I>H
+Removed 30 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.629e) by adding 1 Na+ ion(s).
+[2026-08-20 04:50:54,846] [WARNING] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSHHDCRETGSSKYPNCAYKTTYAYKHIIWWCEGNPYVPVHFDSSS
+[2026-08-20 04:50:55,868] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 123:S>K
+Removed 26 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.876e) by adding 1 Cl- ion(s).
+[2026-08-20 04:53:03,713] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSIHDCRETGSSKYPNCAYKTTYAYKHIIWWCEGNPYVPVHFDSKS (steps=20, Q=0.78, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep014_2_20.npz
+[2026-08-20 04:53:04,596] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 67:M>K
+Removed 26 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.604e) by adding 1 Cl- ion(s).
+[2026-08-20 04:55:06,906] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKKGQTNCYQSYSTMSIHDCRETGSSKYPNCAYKTTYAYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep014_3_20.npz
+[2026-08-20 04:55:07,578] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 04:55:07,670] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 04:55:07,936] [INFO] 伪标签回流: 261 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 2088 条）
+
RL post-train:  35%|███▌      | 14/40 [3:46:08<6:03:00, 837.73s/ep, alpha=0.991, buffer=300, crash=Y, wt=KETAAAKF]
RL post-train:  38%|███▊      | 15/40 [3:46:08<6:21:35, 915.81s/ep, alpha=0.991, buffer=300, crash=Y, wt=KETAAAKF]Removed 23 H(s) to resolve clashes.
+Added 6 Na+ ion(s) to neutralize net charge (-5.514e).
+Removed 24 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.080e).
+[2026-08-20 04:59:11,386] [WARNING] [ep 15] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (5.859670281410217, 314.01627373695374, 0.0)
+Removed 24 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.080e).
+[2026-08-20 05:00:32,268] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 05:00:33,101] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 67:M>K
+Removed 24 H(s) to resolve clashes.
+[solvent_reuse] Pruned 13 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.808e) by adding 1 Cl- ion(s).
+[2026-08-20 05:02:33,427] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKKGQTNCYQSYSTMSIHDCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.81, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep015_0_20.npz
+[2026-08-20 05:02:34,437] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 81:I>H
+Removed 28 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-20 05:04:47,517] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSHHDCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.77, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep015_1_20.npz
+[2026-08-20 05:04:48,307] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 81:I>H
+Removed 28 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-20 05:06:59,077] [WARNING] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKMGQTNCYQSYSTMSHHDCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS
+[2026-08-20 05:06:59,943] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 42:P>K;67:M>K
+Removed 33 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-20 05:09:13,136] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKKKNTFVHGGGADVQAVCSQKQVACKKGQTNCYQSYSTMSIHDCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.81, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep015_2_20.npz
+[2026-08-20 05:09:13,913] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 05:09:14,045] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 05:09:14,387] [INFO] 伪标签回流: 264 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 2112 条）
+
RL post-train:  38%|███▊      | 15/40 [4:00:14<6:21:35, 915.81s/ep, alpha=0.991, buffer=320, crash=Y, wt=KETAAAKF]
RL post-train:  40%|████      | 16/40 [4:00:14<5:57:58, 894.94s/ep, alpha=0.991, buffer=320, crash=Y, wt=KETAAAKF]Removed 22 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-4.786e).
+Removed 24 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.808e).
+[2026-08-20 05:13:21,368] [WARNING] [ep 16] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.18100357055664, 293.0237748324871, 0.0)
+Removed 24 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.808e).
+[2026-08-20 05:14:43,036] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 05:14:43,831] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 81:I>H
+Removed 28 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.696e) by adding 1 Na+ ion(s).
+[2026-08-20 05:16:57,142] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKKGQTNCYQSYSTMSHHDCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.80, conservative) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep016_0_20.npz
+[2026-08-20 05:16:58,012] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 42:P>K
+Removed 33 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.862e) by adding 1 Na+ ion(s).
+[2026-08-20 05:19:00,460] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKKKNTFVHGGGADVQAVCSQKQVACKKGQTNCYQSYSTMSIHDCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.76, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep016_1_20.npz
+[2026-08-20 05:19:01,387] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 81:I>H
+Removed 28 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.696e) by adding 1 Na+ ion(s).
+[2026-08-20 05:21:11,901] [WARNING] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKKGQTNCYQSYSTMSHHDCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS
+[2026-08-20 05:21:12,672] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 81:I>H;83:D>H
+Removed 31 H(s) to resolve clashes.
+[solvent_reuse] Pruned 15 clashing water molecule(s) near mutated residues.
+[2026-08-20 05:23:24,615] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKKGQTNCYQSYSTMSHHHCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.81, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep016_2_20.npz
+[2026-08-20 05:23:25,421] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 05:23:25,538] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 05:23:27,118] [INFO] 伪标签回流: 267 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 2136 条）
+
RL post-train:  40%|████      | 16/40 [4:14:27<5:57:58, 894.94s/ep, alpha=0.990, buffer=340, crash=Y, wt=KETAAAKF]
RL post-train:  42%|████▎     | 17/40 [4:14:27<5:38:11, 882.25s/ep, alpha=0.990, buffer=340, crash=Y, wt=KETAAAKF]Removed 26 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-5.290e).
+Removed 28 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.304e).
+[2026-08-20 05:27:30,946] [WARNING] [ep 17] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 317.1812553405762, 0.0)
+Removed 28 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.304e).
+[2026-08-20 05:28:51,344] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 05:28:52,329] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 83:D>H
+Removed 31 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.766e) by adding 1 Cl- ion(s).
+[2026-08-20 05:31:06,668] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKKGQTNCYQSYSTMSHHHCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.80, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep017_0_20.npz
+[2026-08-20 05:31:07,421] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 83:D>H
+Removed 31 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.766e) by adding 1 Cl- ion(s).
+[2026-08-20 05:33:24,230] [WARNING] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKKGQTNCYQSYSTMSHHHCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS
+[2026-08-20 05:33:25,005] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 83:D>H
+Removed 31 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (+0.766e) by adding 1 Cl- ion(s).
+[2026-08-20 05:35:34,416] [WARNING] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKKGQTNCYQSYSTMSHHHCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS
+[2026-08-20 05:35:35,102] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 05:35:35,209] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 05:35:35,493] [INFO] 伪标签回流: 268 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 2144 条）
+
RL post-train:  42%|████▎     | 17/40 [4:26:35<5:38:11, 882.25s/ep, alpha=0.989, buffer=360, crash=Y, wt=KETAAAKF]
RL post-train:  45%|████▌     | 18/40 [4:26:35<5:06:32, 836.00s/ep, alpha=0.989, buffer=360, crash=Y, wt=KETAAAKF]Removed 29 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-4.827e).
+Removed 31 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.766e).
+[2026-08-20 05:39:41,998] [WARNING] [ep 18] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 327.71801459789276, 0.0)
+Removed 31 H(s) to resolve clashes.
+Added 2 Cl- ion(s) to neutralize net charge (+1.766e).
+[2026-08-20 05:41:01,482] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 05:41:02,268] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 80:S>H
+Removed 35 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.584e) by adding 1 Na+ ion(s).
+[2026-08-20 05:43:16,605] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKKGQTNCYQSYSTMHHHHCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.79, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep018_0_20.npz
+[2026-08-20 05:43:17,400] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 80:S>H
+Removed 35 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.584e) by adding 1 Na+ ion(s).
+[2026-08-20 05:45:28,441] [WARNING] 本集重复存活，跳过重复写盘: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADVQAVCSQKQVACKKGQTNCYQSYSTMHHHHCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS
+[2026-08-20 05:45:29,232] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 05:45:29,355] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 05:45:29,727] [INFO] 伪标签回流: 269 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 2152 条）
+
RL post-train:  45%|████▌     | 18/40 [4:36:30<5:06:32, 836.00s/ep, alpha=0.989, buffer=380, crash=Y, wt=KETAAAKF]
RL post-train:  48%|████▊     | 19/40 [4:36:30<4:27:11, 763.39s/ep, alpha=0.989, buffer=380, crash=Y, wt=KETAAAKF]Removed 33 H(s) to resolve clashes.
+Added 5 Na+ ion(s) to neutralize net charge (-5.177e).
+Removed 35 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.416e).
+[2026-08-20 05:49:38,060] [WARNING] [ep 19] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.226109266281128, 292.8469640016556, 0.0)
+Removed 35 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.416e).
+[2026-08-20 05:50:57,198] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+
RL post-train:  48%|████▊     | 19/40 [4:41:57<4:27:11, 763.39s/ep, alpha=0.988, buffer=400, crash=Y, wt=KETAAAKF]
RL post-train:  50%|█████     | 20/40 [4:41:57<3:30:50, 632.51s/ep, alpha=0.988, buffer=400, crash=Y, wt=KETAAAKF]Removed 35 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.416e).
+[2026-08-20 05:52:23,502] [WARNING] [ep 20] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 310.5716098546982, 0.0)
+Removed 35 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.416e).
+[2026-08-20 05:53:40,344] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 05:53:40,359] [INFO] [ep 20] Head D 置信度 loss: 0.2891
+[2026-08-20 05:53:40,360] [INFO] [ep 20] alpha=0.987 buffer=420 | wt=KETAAAKFERQHMDSSPSAA | 17081s
+[2026-08-20 05:53:41,348] [INFO] [ep 20] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:  50%|█████     | 20/40 [4:44:41<3:30:50, 632.51s/ep, alpha=0.987, buffer=420, crash=Y, wt=KETAAAKF]
RL post-train:  52%|█████▎    | 21/40 [4:44:41<2:35:46, 491.92s/ep, alpha=0.987, buffer=420, crash=Y, wt=KETAAAKF]Removed 35 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.416e).
+[2026-08-20 05:55:06,255] [WARNING] [ep 21] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.471566677093506, 330.0, 0.0)
+Removed 35 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.416e).
+[2026-08-20 05:56:26,465] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 05:56:27,252] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 54:V>H;55:Q>H
+Removed 39 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[2026-08-20 05:58:38,756] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRNLTKDRCKPKNTFVHGGGADHHAVCSQKQVACKKGQTNCYQSYSTMHHHHCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.80, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep021_0_20.npz
+[2026-08-20 05:58:39,695] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 05:58:39,825] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 05:58:40,126] [INFO] 伪标签回流: 270 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 2160 条）
+
RL post-train:  52%|█████▎    | 21/40 [4:49:40<2:35:46, 491.92s/ep, alpha=0.987, buffer=440, crash=Y, wt=KETAAAKF]
RL post-train:  55%|█████▌    | 22/40 [4:49:40<2:10:11, 433.96s/ep, alpha=0.987, buffer=440, crash=Y, wt=KETAAAKF]Removed 37 H(s) to resolve clashes.
+Added 6 Na+ ion(s) to neutralize net charge (-5.522e).
+Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:02:46,029] [WARNING] [ep 22] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:04:07,235] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 06:04:08,053] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 34:N>H
+Removed 39 H(s) to resolve clashes.
+[solvent_reuse] Pruned 12 clashing water molecule(s) near mutated residues.
+[2026-08-20 06:06:19,238] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRHLTKDRCKPKNTFVHGGGADHHAVCSQKQVACKKGQTNCYQSYSTMHHHHCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.79, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep022_0_20.npz
+[2026-08-20 06:06:19,962] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 06:06:20,087] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 06:06:20,372] [INFO] 伪标签回流: 271 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 2168 条）
+
RL post-train:  55%|█████▌    | 22/40 [4:57:20<2:10:11, 433.96s/ep, alpha=0.986, buffer=460, crash=Y, wt=KETAAAKF]
RL post-train:  57%|█████▊    | 23/40 [4:57:20<2:05:11, 441.85s/ep, alpha=0.986, buffer=460, crash=Y, wt=KETAAAKF]Removed 37 H(s) to resolve clashes.
+Added 6 Na+ ion(s) to neutralize net charge (-5.522e).
+Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:10:27,241] [WARNING] [ep 23] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:11:49,259] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+
RL post-train:  57%|█████▊    | 23/40 [5:02:49<2:05:11, 441.85s/ep, alpha=0.985, buffer=480, crash=Y, wt=KETAAAKF]
RL post-train:  60%|██████    | 24/40 [5:02:49<1:48:47, 407.96s/ep, alpha=0.985, buffer=480, crash=Y, wt=KETAAAKF][2026-08-20 06:11:59,647] [WARNING] [ep 24] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 327.19156217575073, 0.0)
+Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:13:15,485] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+
RL post-train:  60%|██████    | 24/40 [5:04:15<1:48:47, 407.96s/ep, alpha=0.985, buffer=500, crash=Y, wt=KETAAAKF]
RL post-train:  62%|██████▎   | 25/40 [5:04:15<1:17:51, 311.42s/ep, alpha=0.985, buffer=500, crash=Y, wt=KETAAAKF]Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:16:14,919] [WARNING] [ep 25] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 315.5294623374939, 0.0)
+Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:17:37,458] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+
RL post-train:  62%|██████▎   | 25/40 [5:08:37<1:17:51, 311.42s/ep, alpha=0.984, buffer=520, crash=Y, wt=KETAAAKF]
RL post-train:  65%|██████▌   | 26/40 [5:08:37<1:09:12, 296.59s/ep, alpha=0.984, buffer=520, crash=Y, wt=KETAAAKF]Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:20:32,710] [WARNING] [ep 26] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:21:52,346] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+
RL post-train:  65%|██████▌   | 26/40 [5:12:52<1:09:12, 296.59s/ep, alpha=0.984, buffer=540, crash=Y, wt=KETAAAKF]
RL post-train:  68%|██████▊   | 27/40 [5:12:52<1:01:33, 284.08s/ep, alpha=0.984, buffer=540, crash=Y, wt=KETAAAKF]Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:24:47,754] [WARNING] [ep 27] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:26:07,499] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+
RL post-train:  68%|██████▊   | 27/40 [5:17:07<1:01:33, 284.08s/ep, alpha=0.983, buffer=560, crash=Y, wt=KETAAAKF]
RL post-train:  70%|███████   | 28/40 [5:17:07<55:04, 275.40s/ep, alpha=0.983, buffer=560, crash=Y, wt=KETAAAKF]  Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:27:34,753] [WARNING] [ep 28] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (8.0, 330.0, 0.0)
+Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:28:51,192] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+
RL post-train:  70%|███████   | 28/40 [5:19:51<55:04, 275.40s/ep, alpha=0.982, buffer=580, crash=Y, wt=KETAAAKF]
RL post-train:  72%|███████▎  | 29/40 [5:19:51<44:20, 241.89s/ep, alpha=0.982, buffer=580, crash=Y, wt=KETAAAKF]Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:30:17,668] [WARNING] [ep 29] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:31:36,148] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+
RL post-train:  72%|███████▎  | 29/40 [5:22:36<44:20, 241.89s/ep, alpha=0.982, buffer=600, crash=Y, wt=KETAAAKF]
RL post-train:  75%|███████▌  | 30/40 [5:22:36<36:28, 218.80s/ep, alpha=0.982, buffer=600, crash=Y, wt=KETAAAKF][2026-08-20 06:31:46,331] [WARNING] [ep 30] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:33:07,501] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 06:33:07,532] [INFO] [ep 30] Head D 置信度 loss: 0.2925
+[2026-08-20 06:33:07,533] [INFO] [ep 30] alpha=0.981 buffer=620 | wt=KETAAAKFERQHMDSSPSAA | 19448s
+[2026-08-20 06:33:08,266] [INFO] [ep 30] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:  75%|███████▌  | 30/40 [5:24:08<36:28, 218.80s/ep, alpha=0.981, buffer=620, crash=Y, wt=KETAAAKF]
RL post-train:  78%|███████▊  | 31/40 [5:24:08<27:07, 180.79s/ep, alpha=0.981, buffer=620, crash=Y, wt=KETAAAKF]Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:34:30,035] [WARNING] [ep 31] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (9.099042892456055, 330.0, 0.0)
+Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:35:49,268] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+
RL post-train:  78%|███████▊  | 31/40 [5:26:49<27:07, 180.79s/ep, alpha=0.980, buffer=640, crash=Y, wt=KETAAAKF]
RL post-train:  80%|████████  | 32/40 [5:26:49<23:18, 174.87s/ep, alpha=0.980, buffer=640, crash=Y, wt=KETAAAKF]Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:37:14,697] [WARNING] [ep 32] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:38:32,955] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+
RL post-train:  80%|████████  | 32/40 [5:29:33<23:18, 174.87s/ep, alpha=0.980, buffer=660, crash=Y, wt=KETAAAKF]
RL post-train:  82%|████████▎ | 33/40 [5:29:33<20:00, 171.51s/ep, alpha=0.980, buffer=660, crash=Y, wt=KETAAAKF][2026-08-20 06:38:43,375] [WARNING] [ep 33] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:40:04,532] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+
RL post-train:  82%|████████▎ | 33/40 [5:31:04<20:00, 171.51s/ep, alpha=0.979, buffer=680, crash=Y, wt=KETAAAKF]
RL post-train:  85%|████████▌ | 34/40 [5:31:04<14:45, 147.54s/ep, alpha=0.979, buffer=680, crash=Y, wt=KETAAAKF][2026-08-20 06:40:14,287] [WARNING] [ep 34] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:41:40,585] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+
RL post-train:  85%|████████▌ | 34/40 [5:32:41<14:45, 147.54s/ep, alpha=0.979, buffer=700, crash=Y, wt=KETAAAKF]
RL post-train:  88%|████████▊ | 35/40 [5:32:41<11:00, 132.08s/ep, alpha=0.979, buffer=700, crash=Y, wt=KETAAAKF][2026-08-20 06:41:50,215] [WARNING] [ep 35] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 325.64733123779297, 0.0)
+Removed 39 H(s) to resolve clashes.
+Added 1 Cl- ion(s) to neutralize net charge (+1.072e).
+[2026-08-20 06:43:12,077] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 06:43:12,899] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 43:K>H
+Removed 42 H(s) to resolve clashes.
+[solvent_reuse] Pruned 10 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-1.208e) by adding 1 Na+ ion(s).
+[2026-08-20 06:45:25,866] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRHLTKDRCKPHNTFVHGGGADHHAVCSQKQVACKKGQTNCYQSYSTMHHHHCRETGSSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.79, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep035_0_20.npz
+[2026-08-20 06:45:26,715] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 06:45:26,853] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 06:45:27,186] [INFO] 伪标签回流: 272 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 2176 条）
+
RL post-train:  88%|████████▊ | 35/40 [5:36:27<11:00, 132.08s/ep, alpha=0.978, buffer=720, crash=Y, wt=KETAAAKF]
RL post-train:  90%|█████████ | 36/40 [5:36:27<10:41, 160.43s/ep, alpha=0.978, buffer=720, crash=Y, wt=KETAAAKF]Removed 40 H(s) to resolve clashes.
+Added 6 Na+ ion(s) to neutralize net charge (-6.462e).
+Removed 42 H(s) to resolve clashes.
+[2026-08-20 06:49:35,761] [WARNING] [ep 36] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 42 H(s) to resolve clashes.
+[2026-08-20 06:50:53,248] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 06:50:54,059] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 89:S>H
+Removed 45 H(s) to resolve clashes.
+[solvent_reuse] Pruned 17 clashing water molecule(s) near mutated residues.
+[2026-08-20 06:53:01,570] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRHLTKDRCKPHNTFVHGGGADHHAVCSQKQVACKKGQTNCYQSYSTMHHHHCRETGHSKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.74, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep036_0_20.npz
+[2026-08-20 06:53:02,250] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 06:53:02,392] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 06:53:02,655] [INFO] 伪标签回流: 273 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 2184 条）
+
RL post-train:  90%|█████████ | 36/40 [5:44:03<10:41, 160.43s/ep, alpha=0.977, buffer=740, crash=Y, wt=KETAAAKF]
RL post-train:  92%|█████████▎| 37/40 [5:44:03<12:26, 248.94s/ep, alpha=0.977, buffer=740, crash=Y, wt=KETAAAKF]Removed 43 H(s) to resolve clashes.
+Added 7 Na+ ion(s) to neutralize net charge (-6.729e).
+Removed 45 H(s) to resolve clashes.
+[2026-08-20 06:57:04,609] [WARNING] [ep 37] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 45 H(s) to resolve clashes.
+[2026-08-20 06:58:26,055] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+
RL post-train:  92%|█████████▎| 37/40 [5:49:26<12:26, 248.94s/ep, alpha=0.977, buffer=760, crash=Y, wt=KETAAAKF]
RL post-train:  95%|█████████▌| 38/40 [5:49:26<09:02, 271.29s/ep, alpha=0.977, buffer=760, crash=Y, wt=KETAAAKF][2026-08-20 06:58:36,855] [WARNING] [ep 38] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 45 H(s) to resolve clashes.
+[2026-08-20 06:59:56,319] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+
RL post-train:  95%|█████████▌| 38/40 [5:50:56<09:02, 271.29s/ep, alpha=0.976, buffer=780, crash=Y, wt=KETAAAKF]
RL post-train:  98%|█████████▊| 39/40 [5:50:56<03:36, 216.98s/ep, alpha=0.976, buffer=780, crash=Y, wt=KETAAAKF][2026-08-20 07:00:05,709] [WARNING] [ep 39] 路径A 失稳（崩溃/m5 超阈值），记录 Env_fail: (10.0, 330.0, 0.0)
+Removed 45 H(s) to resolve clashes.
+[2026-08-20 07:01:31,436] [INFO] 父引擎就绪（溶剂复用路径，124 aa）
+[2026-08-20 07:01:32,323] [WARNING] pred_ca 几何异常（缩放不可救），回退 wild CA 骨架: 90:S>H
+Removed 48 H(s) to resolve clashes.
+[solvent_reuse] Pruned 14 clashing water molecule(s) near mutated residues.
+[solvent_reuse] Re-neutralized mutant net charge (-0.974e) by adding 1 Na+ ion(s).
+[2026-08-20 07:03:34,435] [INFO] 存活突变体: KETAAAKFERQHMDSSPSAAMMSNYCNQMMKSRHLTKDRCKPHNTFVHGGGADHHAVCSQKQVACKKGQTNCYQSYSTMHHHHCRETGHHKYPNCAYKTTYYYKHIIWWCEGNPYVPVHFDSSS (steps=20, Q=0.78, aggressive) 伪标签 -> ../data/data_efficiency/n45000/pseudo_labels/pseudo_1jvt_ep039_0_20.npz
+[2026-08-20 07:03:35,183] [WARNING] 亲本 pred_ca 异常，回退 wild 骨架
+[2026-08-20 07:03:35,392] [INFO] 新亲本结构已重建: KETAAAKFERQHMDSSPSAA... (n_res=124)
+[2026-08-20 07:03:35,692] [INFO] 伪标签回流: 274 条 -> ../data/data_efficiency/n45000/pseudo.tfrecord（加权后 2192 条）
+[2026-08-20 07:03:36,313] [INFO] [ep 39] checkpoint -> ../data/data_efficiency/n45000/checkpoints/posttrain
+
RL post-train:  98%|█████████▊| 39/40 [5:54:36<03:36, 216.98s/ep, alpha=0.976, buffer=800, crash=Y, wt=KETAAAKF]
RL post-train: 100%|██████████| 40/40 [5:54:36<00:00, 217.87s/ep, alpha=0.976, buffer=800, crash=Y, wt=KETAAAKF]
RL post-train: 100%|██████████| 40/40 [5:54:36<00:00, 531.92s/ep, alpha=0.976, buffer=800, crash=Y, wt=KETAAAKF]
diff --git a/seventh_mut/n45000/45k_119457744.out b/seventh_mut/n45000/45k_119457744.out
new file mode 100644
index 0000000000000000000000000000000000000000..ba3acf69de86f999c318b15f25c4816beb4490cc
--- /dev/null
+++ b/seventh_mut/n45000/45k_119457744.out
@@ -0,0 +1,26686 @@
+[45k] config=/public/home/redelectricity/spice/model/../data/data_efficiency/n45000/posttrain.yaml  max_episodes=40
+[self-heal] n45000 输出隔离 OK
+[local] 7qf3: 已在 atoms_shard_0003.parquet，跳过联网
+[done] parquet dir: /public/home/redelectricity/spice/data/parquet_hpc
+[local] 6qqe: 已在 atoms_shard_0006.parquet，跳过联网
+[done] parquet dir: /public/home/redelectricity/spice/data/parquet_hpc
+[local] 8d8f: 已在 atoms_shard_0019.parquet，跳过联网
+[done] parquet dir: /public/home/redelectricity/spice/data/parquet_hpc
+[local] 1jvt: 已在 atoms_shard_0022.parquet，跳过联网
+[done] parquet dir: /public/home/redelectricity/spice/data/parquet_hpc
+=== [n45000] 7qf3 RL start Wed Aug 19 03:50:45 CST 2026 ===
+Initializing solvent molecules...
+Solvent-free vol: 181.90 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5918 / 6062 solvent mols in 354 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40244 ms
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 989 (123724 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1297 (174100 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1297 (133627 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1280 (107444 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.90 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5918 / 6062 solvent mols in 353 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41207 ms
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 989 (102486 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1280 (116105 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1297 (142133 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1297 (294549 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1297 (327270 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.32 Cell vol: 207.40 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.99 Å
+Added 6039 / 6110 solvent mols in 392 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42183 ms
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 942 (111433 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1332 (100265 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.90 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5918 / 6062 solvent mols in 349 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40724 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.90 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5918 / 6062 solvent mols in 352 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41083 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1285 (4201528 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1285 (1030013 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1302 (179582 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1302 (259076 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1302 (138549 -> 100000)
+Warn: 127 atom(s) hit accel clamp on step 5, first atom 0 (304792 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 6, first atom 1 (154848 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 7, first atom 946 (168381 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 8, first atom 946 (202760 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 9, first atom 947 (364779 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 10, first atom 947 (160046 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 11, first atom 994 (128571 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 12, first atom 1012 (148699 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 13, first atom 1105 (114776 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 950 (132834 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 15, first atom 946 (151800 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 16, first atom 949 (3416351 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 956 (113702 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 18, first atom 949 (957321 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 3 (136083 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1835 (118575 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1116 (120030 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 949 (1036990 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 24, first atom 949 (113176 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1421 (121200 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 956 (157731 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 949 (224476 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1151 (115063 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1098 (142210 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 949 (962263 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 949 (301900 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 956 (222724 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 949 (116706 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 956 (275166 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 956 (334761 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1101 (102085 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1167 (172441 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1167 (105116 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1838 (104584 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1838 (158461 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 956 (176545 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 956 (376601 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 956 (153579 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 1288 (4193302 -> 100000)
+Warn: 124 atom(s) hit accel clamp on step 1, first atom 0 (304422 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 2, first atom 949 (338546 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 3, first atom 162 (173150 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 4, first atom 949 (144068 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 5, first atom 949 (130672 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 6, first atom 959 (156671 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 7, first atom 1189 (209435 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 8, first atom 1015 (132306 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 9, first atom 1112 (111579 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 10, first atom 953 (122130 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 11, first atom 953 (134922 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 12, first atom 949 (103099 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 13, first atom 952 (219219 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 14, first atom 949 (249119 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 949 (175597 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 953 (517436 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 953 (297666 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 1094 (120530 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 1112 (480866 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1113 (117640 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1094 (106668 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1835 (158198 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1113 (116388 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1236 (106921 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 955 (129511 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 955 (104170 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1111 (176283 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1836 (111270 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1104 (224948 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1500 (116015 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1109 (112537 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1117 (104291 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1170 (130771 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1170 (119232 -> 100000)
+Warn: 130 atom(s) hit accel clamp on step 13, first atom 0 (307402 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 14, first atom 1 (364702 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 15, first atom 940 (114871 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 16, first atom 939 (290556 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 17, first atom 939 (230309 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 18, first atom 987 (131352 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 19, first atom 949 (106855 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 20, first atom 939 (226669 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 21, first atom 939 (122305 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 22, first atom 952 (152940 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 23, first atom 940 (132142 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 24, first atom 940 (107701 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 987 (118198 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 951 (125976 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 942 (235424 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 3 (142609 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 942 (259364 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 3 (114877 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 950 (201796 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 942 (750072 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 943 (342633 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1108 (371032 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1108 (193502 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1107 (207586 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 944 (106502 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1108 (141302 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1107 (363418 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1109 (111283 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1107 (138719 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1107 (108951 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1103 (118485 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1107 (136222 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1107 (103509 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1103 (106616 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1111 (146955 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1558 (101837 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1773 (135082 -> 100000)
+Warn: 134 atom(s) hit accel clamp on step 14, first atom 0 (306024 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 15, first atom 1 (363287 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 16, first atom 365 (171355 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 17, first atom 941 (249983 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 18, first atom 941 (247354 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 19, first atom 1096 (1405786 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 20, first atom 989 (159918 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 21, first atom 941 (217908 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 22, first atom 941 (235679 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 23, first atom 941 (119539 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1000 (188088 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 25, first atom 944 (140474 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 951 (118044 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1413 (170550 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1076 (142697 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 944 (105573 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 944 (147442 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 952 (103768 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1158 (106737 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1158 (113096 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 35, first atom 944 (231365 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1101 (146316 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1096 (415780 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1101 (202793 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1133 (135758 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 945 (101492 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1018 (101571 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1488 (137563 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 951 (107519 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 944 (146571 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 951 (130657 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 951 (145021 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1100 (100787 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1109 (175029 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1101 (180688 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 69, first atom 1109 (139340 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1285 (4196112 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1285 (929548 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1302 (172680 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1302 (246115 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1302 (130109 -> 100000)
+Warn: 128 atom(s) hit accel clamp on step 5, first atom 0 (304857 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 6, first atom 1 (145574 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 7, first atom 946 (185980 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 8, first atom 946 (227079 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 9, first atom 947 (340980 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 10, first atom 947 (107973 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 11, first atom 994 (128004 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 12, first atom 1109 (393171 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 13, first atom 973 (113984 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 14, first atom 946 (104186 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 15, first atom 946 (126928 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 16, first atom 947 (115692 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 17, first atom 1822 (228796 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 18, first atom 949 (206045 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 949 (1342056 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 950 (223908 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1195 (104321 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1414 (174913 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 949 (2118606 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 949 (759815 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1514 (104217 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 949 (282367 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 8 (100731 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1115 (105813 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1101 (115276 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1114 (140078 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1114 (131863 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1838 (110364 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 956 (288689 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 956 (375189 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 956 (105114 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1167 (112631 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 956 (207881 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1107 (155273 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1117 (111624 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 956 (104709 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 956 (100542 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 956 (109085 -> 100000)
+Warn: 126 atom(s) hit accel clamp on step 13, first atom 0 (308033 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 14, first atom 1 (374382 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 15, first atom 162 (151080 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 16, first atom 940 (608526 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 17, first atom 940 (386642 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 18, first atom 988 (119969 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 950 (102080 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 940 (322344 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 21, first atom 940 (242927 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 22, first atom 941 (176789 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 23, first atom 941 (181570 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 988 (179381 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 25, first atom 941 (135566 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1491 (113325 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 943 (1085566 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 943 (129642 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 944 (475959 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1406 (147658 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1193 (137736 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 943 (185872 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1179 (140508 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1109 (140411 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1100 (199802 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1179 (152645 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1560 (134526 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1152 (114827 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1152 (108938 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1100 (371998 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1102 (131078 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 952 (395935 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1112 (157147 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1112 (154332 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 989 (119055 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1099 (132316 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 951 (125324 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.31 Cell vol: 207.40 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.99 Å
+Added 6040 / 6109 solvent mols in 392 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42118 ms
+Warn: 15 atom(s) hit accel clamp on step 0, first atom 947 (155482 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1377 (108380 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1300 (184155 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1300 (124729 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1300 (201986 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.89 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5918 / 6062 solvent mols in 350 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40929 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.89 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5918 / 6062 solvent mols in 357 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41242 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 993 (148591 -> 100000)
+Warn: 136 atom(s) hit accel clamp on step 7, first atom 0 (304712 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 8, first atom 1 (126136 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 9, first atom 161 (102806 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 10, first atom 945 (208804 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 11, first atom 404 (103210 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 12, first atom 946 (101028 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 13, first atom 955 (129127 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 1030 (103301 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 1102 (130550 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 16, first atom 945 (213553 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 945 (100801 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 946 (137515 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 19, first atom 984 (107064 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 948 (396291 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 948 (1301444 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 949 (298631 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1192 (104194 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1104 (153590 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1113 (249942 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 955 (143626 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 955 (112968 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1315 (107011 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 956 (190824 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1565 (100408 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1104 (150959 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1299 (103826 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1103 (184228 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1299 (104875 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1105 (112584 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1112 (120180 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1301 (204929 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1105 (103613 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1321 (1091382 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1346 (131604 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1321 (188627 -> 100000)
+Warn: 137 atom(s) hit accel clamp on step 8, first atom 0 (304959 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 9, first atom 1 (261859 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 10, first atom 965 (665637 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 11, first atom 955 (291601 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 12, first atom 956 (251181 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 13, first atom 957 (118896 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 14, first atom 1003 (146550 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 15, first atom 955 (107614 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 963 (113577 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 955 (113076 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 18, first atom 1126 (136075 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 958 (1982419 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1003 (145636 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 958 (159158 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 22, first atom 955 (238958 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 23, first atom 955 (145115 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 959 (153882 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 26, first atom 958 (182597 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 958 (174687 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 958 (762344 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1172 (127941 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 959 (153556 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1277 (109212 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 958 (222887 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1849 (137108 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 965 (108630 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1277 (123026 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1004 (143956 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 958 (254042 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 958 (127526 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 958 (119671 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1472 (120869 -> 100000)
+Warn: 148 atom(s) hit accel clamp on step 10, first atom 0 (305889 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 11, first atom 1 (254383 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 12, first atom 955 (393627 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 13, first atom 945 (300792 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 14, first atom 946 (231322 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 15, first atom 946 (116532 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 16, first atom 1 (132233 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 17, first atom 946 (106070 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 947 (163794 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 19, first atom 946 (444443 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 945 (105471 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 993 (106421 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 945 (101658 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 3 (105295 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 24, first atom 945 (202498 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 949 (133106 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1300 (137614 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1079 (154224 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 956 (107674 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 955 (181403 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 955 (101636 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 955 (144632 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 948 (253655 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1315 (444465 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1004 (101049 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1104 (113992 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 951 (136904 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 951 (193264 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 950 (151115 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1317 (122453 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1301 (108071 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1166 (106580 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 957 (135300 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1412 (111198 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 1310 (348031 -> 100000)
+Warn: 134 atom(s) hit accel clamp on step 1, first atom 0 (304381 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 2, first atom 961 (300275 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 3, first atom 162 (173149 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 4, first atom 961 (177681 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 5, first atom 961 (172883 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 6, first atom 971 (330790 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 7, first atom 962 (104084 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 8, first atom 1027 (129350 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 9, first atom 961 (166709 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 10, first atom 965 (143233 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 11, first atom 965 (156271 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 963 (120480 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 13, first atom 963 (125337 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 964 (136691 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 15, first atom 1096 (111654 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 16, first atom 1166 (128874 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 17, first atom 964 (103131 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1124 (278882 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 964 (500562 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 965 (185108 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1125 (108815 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1121 (208673 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1856 (225998 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1116 (101684 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1132 (120132 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1271 (100887 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 964 (102072 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1116 (128985 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1116 (121375 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1120 (185644 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1116 (691541 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 971 (110056 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1521 (147232 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1130 (103205 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 971 (101989 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1834 (195136 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1115 (105486 -> 100000)
+Warn: 149 atom(s) hit accel clamp on step 10, first atom 0 (306664 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 11, first atom 1 (375654 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 12, first atom 955 (465111 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 13, first atom 945 (458577 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 14, first atom 946 (158107 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 15, first atom 1007 (126125 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 16, first atom 955 (176315 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 17, first atom 993 (121582 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 18, first atom 1022 (127904 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 19, first atom 945 (157824 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 949 (125593 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 945 (100054 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1267 (122325 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 948 (167556 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 945 (110962 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 25, first atom 949 (225595 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 949 (179484 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1300 (274031 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1115 (103426 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1316 (134087 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 949 (117810 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1299 (101946 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 955 (165514 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1184 (101452 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1317 (129250 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1558 (122510 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1079 (110312 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 949 (126706 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1558 (150317 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1079 (128384 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 949 (102215 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1558 (244074 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 949 (116426 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1166 (125011 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1099 (200949 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1298 (141992 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 955 (101120 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1298 (130407 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1298 (135162 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1298 (107020 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 950 (132999 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1298 (152194 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1298 (105787 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1298 (109241 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1321 (1283811 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1346 (121056 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1321 (230307 -> 100000)
+Warn: 141 atom(s) hit accel clamp on step 8, first atom 0 (305828 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 9, first atom 1 (232338 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 10, first atom 956 (117532 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 11, first atom 955 (240901 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 12, first atom 955 (139844 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 13, first atom 957 (116157 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 14, first atom 1003 (165994 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 955 (207171 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 957 (123118 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 956 (911062 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 18, first atom 956 (507998 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1003 (159865 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 20, first atom 955 (206802 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 958 (1396986 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 958 (282025 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 959 (2684872 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 958 (184625 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 958 (127752 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1147 (137455 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1524 (148159 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1036 (137603 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1100 (116757 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1849 (121178 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1206 (112793 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.31 Cell vol: 207.40 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.99 Å
+Added 6040 / 6109 solvent mols in 359 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40712 ms
+Warn: 47 atom(s) hit accel clamp on step 0, first atom 175 (122824 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 1, first atom 974 (179595 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1101 (223977 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 3, first atom 1101 (115170 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1721 (134092 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 974 (114284 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 12, first atom 1113 (143463 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 13, first atom 1113 (118517 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1110 (306228 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1110 (137287 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.90 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5918 / 6062 solvent mols in 390 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40665 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.90 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5918 / 6062 solvent mols in 344 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40451 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1383 (174612 -> 100000)
+Warn: 150 atom(s) hit accel clamp on step 1, first atom 0 (304432 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 2, first atom 948 (337827 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 3, first atom 161 (172836 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 4, first atom 948 (109132 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 5, first atom 404 (206589 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 6, first atom 382 (207672 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 7, first atom 1091 (111051 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 8, first atom 948 (145092 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 9, first atom 996 (110433 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 10, first atom 949 (104822 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 11, first atom 948 (133745 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 12, first atom 952 (116867 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 13, first atom 948 (837857 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 14, first atom 948 (344729 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 15, first atom 1116 (133467 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1109 (110676 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1195 (119683 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 1107 (188619 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 951 (141608 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 20, first atom 1106 (127356 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1256 (105306 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 22, first atom 1115 (114616 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 951 (153947 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1832 (167405 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1106 (131938 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1301 (203306 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1106 (101149 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1233 (107257 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 951 (287991 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1101 (194830 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 952 (130453 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 952 (188766 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1141 (101255 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1101 (181120 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1481 (121997 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1200 (106184 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1197 (329702 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1835 (107926 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 992 (145380 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1003 (178528 -> 100000)
+Warn: 151 atom(s) hit accel clamp on step 5, first atom 0 (305144 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 6, first atom 1 (125113 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 7, first atom 944 (146363 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 8, first atom 944 (124469 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 9, first atom 403 (261400 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 10, first atom 381 (232110 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 11, first atom 1099 (135242 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 12, first atom 1103 (275262 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 13, first atom 1099 (104993 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 14, first atom 944 (281805 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 15, first atom 944 (246783 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 16, first atom 983 (169067 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1189 (106120 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 947 (393474 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 3 (136402 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 948 (336279 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 21, first atom 945 (105766 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1816 (114607 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 23, first atom 947 (140585 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 954 (106201 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1508 (120880 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 26, first atom 947 (990160 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 947 (127646 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 947 (106800 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1830 (464852 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1817 (132218 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 954 (107718 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1622 (104551 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 950 (144396 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1300 (118339 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1293 (121567 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1672 (143766 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1299 (140890 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 949 (563458 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 949 (322114 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1408 (147733 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 954 (111188 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1099 (115125 -> 100000)
+Warn: 149 atom(s) hit accel clamp on step 11, first atom 0 (306271 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 12, first atom 1 (373320 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 13, first atom 945 (222947 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 14, first atom 944 (229529 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 15, first atom 404 (137416 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 16, first atom 954 (102844 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 17, first atom 944 (109644 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 944 (202433 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 19, first atom 992 (179764 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 20, first atom 945 (572096 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 21, first atom 945 (507399 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 946 (134744 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 992 (172562 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 24, first atom 947 (459506 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 3 (140522 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 947 (114330 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 949 (131429 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1147 (104381 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 947 (429912 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 947 (132030 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 947 (622606 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 947 (125819 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 947 (245206 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 947 (221084 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1309 (104693 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1021 (100561 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1417 (113714 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1021 (100752 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1413 (279646 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1297 (108024 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1193 (164547 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1114 (211491 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1114 (154830 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1307 (719377 -> 100000)
+Warn: 136 atom(s) hit accel clamp on step 1, first atom 0 (304434 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 2, first atom 960 (351174 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 3, first atom 161 (173223 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 4, first atom 960 (138651 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 5, first atom 960 (264075 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 6, first atom 970 (253775 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 7, first atom 1103 (108592 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 8, first atom 960 (101163 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 9, first atom 1008 (120175 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 10, first atom 964 (133121 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 11, first atom 960 (148011 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 12, first atom 960 (228949 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 13, first atom 964 (102040 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 14, first atom 960 (204063 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 15, first atom 960 (152128 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 963 (540591 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1207 (116056 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1121 (136122 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 19, first atom 963 (300455 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 963 (118699 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1127 (101771 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1122 (115909 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1127 (103413 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1163 (106081 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1113 (128946 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1163 (110015 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1119 (128285 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1117 (185215 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1113 (123569 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1113 (115602 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1850 (203175 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1429 (127862 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1856 (243499 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1840 (101493 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1862 (105317 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 992 (145383 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1003 (177870 -> 100000)
+Warn: 141 atom(s) hit accel clamp on step 6, first atom 0 (306059 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 7, first atom 1 (258241 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 8, first atom 954 (564452 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 9, first atom 944 (166480 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 10, first atom 403 (155530 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 11, first atom 381 (108192 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 1025 (121873 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 13, first atom 1054 (122534 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 14, first atom 944 (122281 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 15, first atom 944 (219723 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 16, first atom 983 (135378 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1099 (110484 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 947 (107407 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 947 (338257 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 947 (468400 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 948 (290264 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 957 (102084 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1296 (135690 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 24, first atom 954 (134252 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 948 (137645 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 947 (106233 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1099 (108016 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 947 (112224 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1296 (103940 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1293 (146614 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1835 (193843 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1111 (120277 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1108 (104004 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1672 (158207 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1105 (110886 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1299 (145801 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1300 (108227 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1108 (113020 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 954 (258687 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1831 (137722 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1100 (165883 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1100 (100168 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1407 (100907 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1307 (623000 -> 100000)
+Warn: 134 atom(s) hit accel clamp on step 1, first atom 0 (304390 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 2, first atom 960 (341551 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 3, first atom 161 (173017 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 4, first atom 960 (124070 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 5, first atom 960 (311426 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 6, first atom 970 (202185 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 7, first atom 1103 (105811 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 8, first atom 960 (123802 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 9, first atom 987 (104614 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 10, first atom 961 (107469 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 11, first atom 960 (113887 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 999 (115666 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 13, first atom 960 (513730 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 960 (134018 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 15, first atom 1170 (133666 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 964 (728375 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 17, first atom 964 (417114 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 1120 (112783 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 963 (496499 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 963 (135974 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1122 (108728 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1122 (103208 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1120 (128145 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1840 (144671 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1118 (148241 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1117 (119734 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 963 (130973 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1113 (148421 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1112 (101476 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1856 (151546 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1432 (100379 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.43 Cell vol: 207.40 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.99 Å
+Added 6042 / 6113 solvent mols in 354 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42100 ms
+Warn: 39 atom(s) hit accel clamp on step 0, first atom 977 (231376 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 1, first atom 977 (149814 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1116 (345581 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1116 (147559 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1116 (153888 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 7, first atom 1117 (115757 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1117 (144934 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 12, first atom 1117 (104609 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1115 (147144 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1115 (122735 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.05 Cell vol: 207.09 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.92 Å
+Added 6031 / 6101 solvent mols in 356 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40390 ms
+Initializing solvent molecules...
+Solvent-free vol: 183.05 Cell vol: 207.09 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.92 Å
+Added 6031 / 6101 solvent mols in 375 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42087 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1331 (1791664 -> 100000)
+Warn: 159 atom(s) hit accel clamp on step 1, first atom 0 (304797 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 2, first atom 957 (263845 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 3, first atom 161 (150905 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 4, first atom 886 (125168 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 5, first atom 957 (150938 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 6, first atom 958 (103419 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 7, first atom 1103 (101833 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 8, first atom 957 (137770 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 9, first atom 1006 (103079 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 10, first atom 932 (112485 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 11, first atom 958 (249487 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 12, first atom 959 (347954 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 957 (157990 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 957 (123507 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1165 (144311 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 1118 (147980 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 960 (144665 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 18, first atom 1069 (101204 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 960 (148824 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 960 (114455 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1119 (116856 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 960 (131854 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1118 (300413 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1128 (102226 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1113 (111097 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1285 (102497 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1122 (119814 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1273 (105718 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1118 (176629 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1113 (149585 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1113 (144808 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1796 (177161 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1798 (118678 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1285 (124084 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1285 (100550 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1850 (117822 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1850 (205135 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1595 (103678 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1841 (104974 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 996 (170475 -> 100000)
+Warn: 166 atom(s) hit accel clamp on step 1, first atom 0 (304749 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 2, first atom 947 (275167 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 3, first atom 160 (134255 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 4, first atom 876 (127544 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 5, first atom 947 (137930 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 6, first atom 957 (491304 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 7, first atom 1105 (259950 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 8, first atom 947 (250858 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 9, first atom 987 (104882 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 10, first atom 948 (312086 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 11, first atom 948 (626249 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 12, first atom 948 (171077 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 13, first atom 947 (195591 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 947 (101882 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 1105 (112865 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 947 (104519 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 17, first atom 1310 (130386 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1110 (136947 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 1106 (261225 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1107 (147970 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 950 (135362 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1101 (177164 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 23, first atom 1106 (105238 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1307 (168753 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1306 (126287 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1201 (113528 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1106 (127469 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1308 (127599 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1310 (153246 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 953 (105910 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 34, first atom 519 (140587 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1435 (109740 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1543 (140395 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1438 (137004 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1312 (119306 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1578 (100815 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1437 (174789 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1430 (102932 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1437 (142812 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1438 (143698 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1437 (126524 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1437 (381813 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1432 (814804 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1432 (149539 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1437 (127985 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1438 (171076 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1439 (101708 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1437 (409426 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1318 (105692 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1432 (108567 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1438 (212892 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1361 (150832 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1361 (101505 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1523 (159445 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1523 (144744 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 228 (261299 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 69, first atom 1523 (117459 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1527 (133697 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1437 (106931 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1538 (105836 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1537 (204059 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1163 (186461 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1163 (106108 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 82, first atom 1165 (100451 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 103, first atom 1828 (691418 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 104, first atom 1043 (121791 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 108, first atom 1071 (244494 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 109, first atom 1825 (119558 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 110, first atom 1014 (262743 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 112, first atom 1851 (199955 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 113, first atom 1014 (144970 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 114, first atom 1014 (156026 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 115, first atom 1009 (271210 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 116, first atom 1217 (123999 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 117, first atom 1009 (140529 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 118, first atom 1009 (112305 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 119, first atom 1803 (188791 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 120, first atom 1009 (197912 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 121, first atom 1009 (125171 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 122, first atom 1009 (388388 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 123, first atom 1009 (135763 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 126, first atom 1802 (176755 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 127, first atom 1802 (123713 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 129, first atom 1802 (110743 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 131, first atom 1806 (136883 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 133, first atom 1802 (149388 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 134, first atom 1852 (144894 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 141, first atom 1013 (101517 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 142, first atom 15 (261214 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 144, first atom 1533 (167634 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 145, first atom 961 (180153 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 146, first atom 1533 (105861 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 147, first atom 1228 (987262 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 148, first atom 1228 (241730 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 149, first atom 961 (135658 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 150, first atom 961 (125707 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 151, first atom 1849 (100116 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 152, first atom 961 (131079 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 154, first atom 1066 (281395 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 155, first atom 455 (113848 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 157, first atom 1201 (151683 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 158, first atom 305 (184596 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 159, first atom 1239 (239314 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 160, first atom 1240 (276647 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 161, first atom 1239 (144704 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 164, first atom 1202 (225683 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 165, first atom 962 (128140 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 166, first atom 1168 (1152514 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 167, first atom 1167 (343390 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 168, first atom 1167 (442137 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 169, first atom 1167 (492763 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 170, first atom 1167 (667960 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 171, first atom 1167 (137299 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 173, first atom 1420 (173799 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 175, first atom 1420 (156868 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 176, first atom 1420 (101884 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 177, first atom 1420 (134992 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 183, first atom 1532 (100652 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 184, first atom 1049 (567074 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 185, first atom 1049 (246028 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 186, first atom 1202 (195841 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 187, first atom 1049 (110830 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 188, first atom 1258 (632206 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 189, first atom 1258 (130687 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 190, first atom 1263 (126676 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 191, first atom 1263 (187870 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 192, first atom 1397 (111640 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 194, first atom 1397 (109906 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 195, first atom 1385 (101969 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 197, first atom 1264 (117771 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 198, first atom 1264 (146958 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 199, first atom 1386 (105026 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 200, first atom 1379 (150237 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 1309 (146093 -> 100000)
+Warn: 155 atom(s) hit accel clamp on step 1, first atom 0 (304715 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 2, first atom 954 (260986 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 3, first atom 161 (173276 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 4, first atom 883 (126138 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 5, first atom 954 (155536 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 6, first atom 955 (100944 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 7, first atom 1100 (108742 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 8, first atom 954 (184319 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 9, first atom 1003 (104909 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 10, first atom 929 (104491 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 11, first atom 955 (763796 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 12, first atom 954 (131974 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 13, first atom 954 (235505 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 957 (197018 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 1169 (108327 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 16, first atom 958 (106394 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1041 (105447 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 957 (254851 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1198 (183694 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 21, first atom 1119 (111615 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1858 (102193 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1115 (100602 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1110 (111358 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1115 (102877 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1790 (210696 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1790 (135957 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 30, first atom 1110 (153557 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1853 (108678 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1110 (110930 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1452 (109635 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 964 (158084 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1117 (104667 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1119 (111632 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1117 (100131 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1114 (296943 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1444 (103149 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1118 (101856 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1619 (115178 -> 100000)
+Warn: 160 atom(s) hit accel clamp on step 1, first atom 0 (304695 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 2, first atom 954 (270057 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 3, first atom 161 (173172 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 4, first atom 883 (127308 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 5, first atom 954 (141936 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 6, first atom 964 (424462 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 7, first atom 1100 (102224 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 8, first atom 954 (216673 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 9, first atom 962 (102653 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 10, first atom 929 (104065 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 11, first atom 955 (458622 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 12, first atom 955 (172564 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 13, first atom 954 (171479 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 14, first atom 954 (104720 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1316 (310020 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 954 (113537 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1116 (335915 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1116 (142622 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 954 (104097 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 954 (127298 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 1316 (162305 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 22, first atom 1119 (150417 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1115 (145614 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1315 (2076508 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1119 (124229 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1213 (133398 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1115 (150591 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1119 (148090 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 29, first atom 1119 (106908 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1316 (135919 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1561 (100742 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1551 (134924 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1522 (116551 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1319 (112885 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1111 (108063 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1115 (222018 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1115 (148278 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1317 (141571 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1582 (110194 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1841 (149932 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1841 (106314 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1316 (155640 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1856 (106028 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1786 (103697 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 59, first atom 1514 (130690 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1331 (4169633 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1331 (109009 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1365 (147782 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 3, first atom 1331 (232195 -> 100000)
+Warn: 159 atom(s) hit accel clamp on step 4, first atom 0 (304578 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 5, first atom 957 (220161 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 6, first atom 161 (111496 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 7, first atom 886 (130750 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 8, first atom 957 (125380 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 9, first atom 958 (166887 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 10, first atom 1117 (114715 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 11, first atom 957 (164562 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 1006 (138597 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 13, first atom 932 (109803 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 958 (255635 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 958 (794766 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 16, first atom 958 (491703 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 960 (133560 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 1165 (174701 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 961 (350603 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 20, first atom 1798 (101459 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 21, first atom 957 (321895 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1455 (884712 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 23, first atom 957 (107810 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 957 (182339 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 960 (2396206 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 960 (1804603 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1519 (107922 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1851 (126700 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1863 (186993 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1120 (115800 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1113 (159830 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 957 (103153 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1866 (145043 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1119 (102977 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.25 Cell vol: 207.40 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.99 Å
+Added 6040 / 6107 solvent mols in 392 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42755 ms
+Warn: 13 atom(s) hit accel clamp on step 0, first atom 959 (147476 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1292 (105316 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1018 (141219 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1309 (197154 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1309 (207501 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1018 (100418 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 7, first atom 1346 (101766 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.83 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5919 / 6060 solvent mols in 369 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41078 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.83 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5919 / 6060 solvent mols in 351 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41209 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1310 (104833 -> 100000)
+Warn: 148 atom(s) hit accel clamp on step 1, first atom 0 (304765 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 2, first atom 963 (277656 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 3, first atom 161 (172949 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 4, first atom 965 (577474 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 5, first atom 963 (177316 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 6, first atom 963 (430195 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 7, first atom 964 (465578 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 8, first atom 963 (244164 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 9, first atom 963 (245981 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 10, first atom 967 (131345 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 11, first atom 963 (239716 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 12, first atom 1011 (193963 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 13, first atom 966 (253645 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 14, first atom 964 (178709 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 15, first atom 964 (220766 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 16, first atom 967 (666539 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 17, first atom 967 (283867 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1124 (596862 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1124 (555649 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 966 (104421 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 1130 (238447 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1855 (103741 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1121 (211375 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1048 (101694 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1853 (151273 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1840 (144990 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1120 (116337 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1116 (243356 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1116 (195406 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1446 (102394 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 973 (246271 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1116 (102378 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1518 (119115 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1123 (217487 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1215 (142354 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 973 (111529 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1212 (248664 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1858 (145534 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1856 (123925 -> 100000)
+Warn: 154 atom(s) hit accel clamp on step 1, first atom 0 (304777 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 2, first atom 963 (279339 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 3, first atom 161 (172938 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 4, first atom 965 (541699 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 5, first atom 404 (143301 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 6, first atom 963 (511060 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 7, first atom 964 (357902 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 8, first atom 963 (323516 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 9, first atom 963 (202451 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 10, first atom 967 (142098 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 11, first atom 963 (102349 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 12, first atom 1011 (130885 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 964 (202528 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 964 (419972 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 965 (115019 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 16, first atom 1166 (195771 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1210 (116094 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 1122 (123672 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 966 (130302 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1121 (193071 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 1130 (213185 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1121 (231942 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1283 (145955 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 24, first atom 1123 (152390 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1116 (101636 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1851 (123209 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1318 (155503 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1851 (106012 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1012 (109890 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1116 (250350 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1116 (627005 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1121 (103012 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1316 (263692 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1215 (100528 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1316 (117899 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1523 (130700 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1317 (116340 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.19 Cell vol: 207.40 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.99 Å
+Added 6039 / 6105 solvent mols in 362 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40444 ms
+Warn: 12 atom(s) hit accel clamp on step 0, first atom 1010 (193782 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1360 (179162 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1353 (102260 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1315 (191401 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1315 (187718 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1315 (141163 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1353 (117730 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1328 (188890 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.77 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5918 / 6058 solvent mols in 375 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41175 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.77 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5918 / 6058 solvent mols in 347 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40157 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1010 (200248 -> 100000)
+Warn: 162 atom(s) hit accel clamp on step 1, first atom 0 (304539 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 2, first atom 397 (371166 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 3, first atom 160 (142164 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 4, first atom 962 (144589 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 5, first atom 372 (142568 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 6, first atom 972 (437380 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 7, first atom 964 (138010 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 8, first atom 1047 (125674 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 9, first atom 1071 (124406 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 10, first atom 390 (151353 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 11, first atom 966 (142334 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 1199 (182035 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 13, first atom 387 (196937 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 14, first atom 392 (159768 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 15, first atom 962 (146443 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 16, first atom 398 (144670 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1323 (181366 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1325 (157440 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 1119 (343065 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1118 (318851 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 1118 (122012 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 22, first atom 1113 (232603 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1118 (542532 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 965 (124791 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1322 (1706623 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1118 (110651 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1313 (100629 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1317 (130402 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1126 (127972 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1318 (114793 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1129 (108182 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 32, first atom 1313 (122941 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1318 (279683 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 34, first atom 386 (123778 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 35, first atom 1126 (243655 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 36, first atom 1119 (219784 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1322 (1168027 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1212 (113644 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1320 (1007323 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1514 (155111 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1828 (120039 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1320 (504109 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1320 (100523 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1319 (127972 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1320 (126012 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1319 (192299 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1319 (198013 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1319 (102601 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1312 (418443 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1312 (246588 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 59, first atom 1318 (166909 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1313 (339204 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1319 (290435 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1318 (272510 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1318 (236911 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1319 (2055267 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1319 (1250038 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1320 (1106835 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 397 (194747 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1320 (191662 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1318 (146006 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1321 (196053 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1318 (125866 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1324 (265237 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1324 (123324 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1311 (140044 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1311 (146317 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1322 (174841 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 79, first atom 1320 (101054 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1321 (216267 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1322 (197813 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1321 (194459 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1320 (239480 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 87, first atom 1319 (127400 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1321 (152226 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1321 (257247 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 107, first atom 1324 (163964 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 110, first atom 1319 (161460 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 116, first atom 1312 (169837 -> 100000)
+Warn: 163 atom(s) hit accel clamp on step 1, first atom 0 (304602 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 2, first atom 403 (370133 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 3, first atom 161 (161777 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 4, first atom 968 (165322 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 5, first atom 378 (135975 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 6, first atom 968 (112079 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 7, first atom 404 (102844 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 8, first atom 1034 (128467 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 9, first atom 1016 (128134 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 10, first atom 396 (149171 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 11, first atom 969 (119093 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 12, first atom 968 (140151 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 13, first atom 968 (331544 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 14, first atom 398 (159326 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 15, first atom 1136 (217397 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 16, first atom 404 (132311 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1319 (150641 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1127 (157197 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 19, first atom 404 (124309 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1126 (163285 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 968 (116708 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1130 (120212 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 971 (185753 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1330 (115057 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 25, first atom 971 (101865 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1324 (100354 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1134 (125448 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 971 (159941 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 30, first atom 971 (144131 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 972 (121983 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 972 (199998 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1161 (216131 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 34, first atom 1121 (191563 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1456 (178618 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1331 (126519 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1161 (121614 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1134 (133562 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1331 (905346 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1333 (178691 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1451 (126780 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1330 (108263 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1333 (340297 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1338 (104405 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1345 (147706 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1345 (229098 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1331 (104770 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1345 (107751 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1331 (307039 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1331 (116992 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1331 (146845 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1331 (130427 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1330 (1395396 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1330 (219448 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1330 (699256 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1330 (189830 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1330 (131800 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1320 (150617 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1338 (205960 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1338 (148130 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1010 (200351 -> 100000)
+Warn: 164 atom(s) hit accel clamp on step 1, first atom 0 (304518 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 2, first atom 397 (370630 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 3, first atom 160 (134950 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 4, first atom 962 (149980 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 5, first atom 372 (143188 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 6, first atom 972 (354636 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 398 (103596 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 8, first atom 1047 (118389 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 9, first atom 1001 (102846 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 10, first atom 390 (146235 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 11, first atom 963 (116470 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 12, first atom 962 (104240 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 962 (258468 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 14, first atom 392 (159887 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 15, first atom 965 (102571 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 965 (116238 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1280 (133410 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1307 (127148 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 19, first atom 398 (174459 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1311 (141904 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1454 (135246 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 965 (324253 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1118 (306088 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 24, first atom 1120 (172751 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1314 (111244 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1320 (108474 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1126 (127823 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 398 (103770 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1126 (154748 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 966 (104187 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 389 (185088 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1322 (125721 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1117 (110847 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1320 (309530 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 35, first atom 968 (117518 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 36, first atom 390 (134669 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1119 (181983 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1319 (165834 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1318 (474077 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1318 (444556 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1318 (103743 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1438 (103302 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1321 (300991 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1321 (165301 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 389 (179363 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1320 (205386 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1319 (665086 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1320 (114285 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1321 (801160 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1321 (734680 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1319 (197664 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1325 (105335 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1319 (144552 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1312 (140439 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1321 (100200 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1318 (837938 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1318 (144534 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1318 (187086 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1318 (253800 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1319 (128289 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1319 (208956 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1318 (129421 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1318 (239954 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1321 (168994 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1318 (108971 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1113 (104678 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1318 (117213 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1130 (218288 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1152 (140790 -> 100000)
+Warn: 161 atom(s) hit accel clamp on step 6, first atom 0 (305662 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 7, first atom 406 (369276 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 8, first atom 396 (163763 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 9, first atom 971 (100803 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 10, first atom 381 (152886 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 11, first atom 971 (124854 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 12, first atom 973 (274249 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 13, first atom 973 (164309 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 14, first atom 972 (120780 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 399 (151823 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 972 (110578 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1296 (139978 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 18, first atom 971 (644101 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 19, first atom 401 (151967 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 20, first atom 971 (260334 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 21, first atom 974 (381758 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 22, first atom 971 (104390 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 974 (186608 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 981 (127716 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 975 (108822 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1332 (100818 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1343 (116288 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1336 (192588 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 974 (110664 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 974 (110578 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1705 (104953 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1294 (100119 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1336 (114110 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1338 (144331 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1330 (229394 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1453 (100068 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1338 (171591 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1340 (138375 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1335 (371545 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1335 (1233755 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1329 (123995 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1329 (170315 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1333 (730405 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1333 (385283 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1333 (238231 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1331 (190007 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1331 (113027 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1333 (221006 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1333 (157794 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 63, first atom 1333 (101795 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1334 (101843 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1346 (108141 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1338 (132867 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1333 (100019 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1332 (144125 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.19 Cell vol: 207.40 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.99 Å
+Added 6039 / 6105 solvent mols in 351 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43056 ms
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 964 (107948 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1295 (109450 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1023 (122248 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 3, first atom 963 (134951 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1312 (293893 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1312 (100852 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.77 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5919 / 6058 solvent mols in 348 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40848 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.77 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5919 / 6058 solvent mols in 359 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40706 ms
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1155 (273191 -> 100000)
+Warn: 146 atom(s) hit accel clamp on step 1, first atom 0 (304756 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 2, first atom 405 (370576 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 3, first atom 400 (154635 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 4, first atom 976 (147266 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 5, first atom 380 (145035 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 6, first atom 976 (102268 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 7, first atom 978 (353438 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 8, first atom 978 (307069 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 9, first atom 419 (100504 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 10, first atom 398 (121239 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 11, first atom 980 (112359 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 12, first atom 976 (104475 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 13, first atom 977 (128569 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 14, first atom 400 (154809 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 15, first atom 1340 (591269 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 16, first atom 979 (293389 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 977 (131378 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1333 (136505 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1297 (133622 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 1342 (213035 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 1297 (129383 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1330 (150610 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1331 (117530 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1060 (121874 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1330 (168894 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1297 (104124 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1330 (365986 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1297 (101090 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1337 (125447 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1228 (110649 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 981 (296442 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 981 (160220 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 398 (113493 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 986 (104874 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 989 (128330 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 986 (100133 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1348 (177986 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1336 (100208 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1335 (489187 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 44, first atom 1335 (180657 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1338 (105096 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1337 (192182 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1340 (132917 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1338 (123905 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1337 (118575 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1339 (147009 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1336 (101687 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1336 (171600 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1338 (103487 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1339 (239162 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1343 (126898 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1338 (106840 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1096 (139889 -> 100000)
+Warn: 152 atom(s) hit accel clamp on step 1, first atom 0 (304664 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 2, first atom 408 (371776 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 3, first atom 403 (154753 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 4, first atom 973 (168477 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 5, first atom 383 (143537 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 6, first atom 973 (107873 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 975 (391120 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 8, first atom 975 (346119 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 9, first atom 422 (120734 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 10, first atom 401 (116882 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 11, first atom 977 (147685 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 974 (131660 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 13, first atom 974 (152073 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 403 (155135 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 1181 (105410 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 16, first atom 405 (162483 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 976 (246072 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 976 (290673 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1138 (119926 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 1138 (118302 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 1325 (246452 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1325 (688788 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1325 (204827 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 1058 (114436 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1861 (117897 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1329 (132777 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1181 (105336 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1343 (201565 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1331 (120320 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1324 (114888 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1332 (109748 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1324 (149102 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1137 (111118 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1455 (110059 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1331 (196500 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1329 (115055 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1329 (255404 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1337 (107799 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1330 (2077403 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1330 (2082581 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1333 (135329 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1335 (137666 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1337 (101800 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1323 (124163 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1132 (114893 -> 100000)
+Warn: 164 atom(s) hit accel clamp on step 12, first atom 0 (304738 -> 100000)
+Warn: 83 atom(s) hit accel clamp on step 13, first atom 1 (130178 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 14, first atom 1 (102960 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 15, first atom 968 (675497 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 16, first atom 378 (105259 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 17, first atom 968 (137290 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 18, first atom 968 (107735 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 19, first atom 968 (100540 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 20, first atom 1045 (153729 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 21, first atom 969 (309741 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 22, first atom 1100 (119523 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 23, first atom 968 (131581 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 404 (150449 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1336 (191564 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 26, first atom 969 (146452 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 971 (113419 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 28, first atom 971 (199922 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1285 (134661 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1318 (135107 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 31, first atom 971 (152521 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1174 (119686 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 972 (141239 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1135 (225179 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1135 (166490 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1323 (128412 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1326 (113032 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1329 (123138 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1321 (115536 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 973 (139995 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1326 (183415 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 972 (124499 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1324 (141256 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1326 (120024 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1324 (370594 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1324 (163508 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1323 (205726 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1330 (153790 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1318 (126726 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1330 (134977 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1317 (119814 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1149 (133274 -> 100000)
+Warn: 146 atom(s) hit accel clamp on step 1, first atom 0 (304627 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 2, first atom 411 (371553 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 3, first atom 406 (154778 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 4, first atom 982 (199203 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 5, first atom 386 (148790 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 6, first atom 982 (120311 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 7, first atom 984 (341061 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 8, first atom 984 (367343 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 9, first atom 425 (115363 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 10, first atom 404 (113954 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 11, first atom 1040 (130775 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 12, first atom 983 (176915 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 13, first atom 983 (171810 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 406 (154708 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1175 (101984 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 408 (102808 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1305 (117785 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 18, first atom 983 (108317 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1305 (169334 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 20, first atom 985 (247425 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 1305 (103126 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1338 (106611 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1348 (118000 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1066 (131033 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1337 (130673 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1357 (100244 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1357 (203299 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1270 (113128 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1338 (187079 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1881 (124646 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 987 (374060 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 987 (228003 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 992 (119662 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 992 (114198 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1345 (113290 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1344 (118441 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 1340 (183915 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1345 (149694 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1343 (422654 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1343 (232017 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1275 (103447 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1343 (154583 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1345 (407742 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 47, first atom 1343 (332876 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1345 (178680 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1344 (236823 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1344 (100459 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1350 (322146 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1350 (165365 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1515 (100861 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1343 (165551 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1347 (102303 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1349 (178162 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1349 (151766 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1343 (127238 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.92 Cell vol: 207.40 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.99 Å
+Added 6030 / 6096 solvent mols in 355 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41242 ms
+Warn: 19 atom(s) hit accel clamp on step 0, first atom 1005 (106208 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1154 (110125 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1036 (137428 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1329 (128524 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1036 (102061 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.51 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5911 / 6049 solvent mols in 384 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41505 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.51 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5911 / 6049 solvent mols in 349 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39524 ms
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1139 (116706 -> 100000)
+Warn: 168 atom(s) hit accel clamp on step 1, first atom 0 (304631 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 2, first atom 411 (371611 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 3, first atom 401 (186361 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 4, first atom 984 (720683 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 5, first atom 386 (138784 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 6, first atom 983 (111924 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 7, first atom 412 (109611 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 8, first atom 1047 (134893 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 9, first atom 1153 (139301 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 10, first atom 404 (139801 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 11, first atom 983 (149804 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 12, first atom 982 (247759 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 13, first atom 982 (122572 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 14, first atom 406 (157346 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 15, first atom 1345 (608921 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 16, first atom 1305 (123644 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1341 (138872 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1352 (105705 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 1343 (229595 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1350 (127264 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 21, first atom 398 (198627 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 22, first atom 397 (180962 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 397 (207548 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 397 (103543 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1346 (163509 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1340 (119320 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 985 (172678 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1525 (320290 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 29, first atom 401 (155451 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1338 (108233 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 413 (145381 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 32, first atom 413 (131033 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 986 (160254 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 34, first atom 986 (174817 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1338 (110643 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1338 (234470 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1305 (116760 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1339 (308580 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 39, first atom 1339 (288031 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1342 (363670 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1344 (172289 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1337 (199337 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1344 (142629 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1343 (693548 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1343 (117386 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1523 (1006730 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1523 (111985 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 48, first atom 1342 (176142 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1342 (144959 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1354 (141101 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1346 (249082 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1347 (254327 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1352 (101903 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1344 (140367 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1345 (350166 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1343 (349846 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1343 (126995 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1343 (518132 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1343 (264460 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1538 (129601 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1538 (146750 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1344 (100054 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1341 (127020 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1337 (117828 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1337 (103928 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 111, first atom 1345 (110738 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 1104 (138062 -> 100000)
+Warn: 162 atom(s) hit accel clamp on step 1, first atom 0 (304398 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 2, first atom 411 (370973 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 3, first atom 401 (104272 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 4, first atom 984 (696581 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 5, first atom 386 (145279 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 6, first atom 983 (113731 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 7, first atom 412 (110780 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 8, first atom 1047 (118439 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 9, first atom 990 (103252 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 10, first atom 404 (138556 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 11, first atom 982 (108622 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 12, first atom 983 (134073 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 13, first atom 401 (165240 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 14, first atom 401 (122262 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 15, first atom 1339 (506446 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 16, first atom 1342 (302484 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1337 (122545 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 18, first atom 1341 (217678 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 19, first atom 986 (171824 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 986 (124679 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 21, first atom 1173 (185074 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 22, first atom 1173 (151913 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 1198 (102121 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 24, first atom 986 (127319 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1331 (138542 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1332 (115315 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1331 (225603 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1334 (176845 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1340 (218070 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1186 (104611 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1339 (126051 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1343 (103772 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1332 (102845 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1339 (121260 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1336 (231093 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1345 (179908 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1349 (101237 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1332 (125743 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1336 (120870 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 43, first atom 401 (109637 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1337 (402565 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1337 (412981 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1340 (160619 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1341 (174649 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1340 (213202 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1339 (109352 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1459 (104749 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1346 (141600 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1339 (107455 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1332 (119460 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1346 (295154 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1337 (257087 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1337 (106649 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1338 (120658 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1339 (108416 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 110, first atom 1338 (111756 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 0, first atom 1029 (186897 -> 100000)
+Warn: 151 atom(s) hit accel clamp on step 1, first atom 0 (304570 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 2, first atom 420 (370358 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 3, first atom 410 (124124 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 4, first atom 993 (634262 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 5, first atom 395 (144177 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 6, first atom 992 (108214 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 7, first atom 421 (110818 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 8, first atom 1075 (119550 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 9, first atom 1166 (117057 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 10, first atom 413 (134701 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 11, first atom 991 (106030 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 12, first atom 991 (115612 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 13, first atom 991 (907288 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 14, first atom 415 (156949 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 995 (127678 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 1351 (101862 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 994 (106784 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 18, first atom 1365 (161718 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1363 (487181 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1363 (172452 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 1354 (264534 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1350 (107302 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 994 (161426 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 994 (684996 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1350 (208283 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1351 (1128464 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 994 (194277 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1351 (113896 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1351 (689436 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1352 (103919 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1369 (102604 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1351 (456416 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 33, first atom 995 (263563 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 1351 (1060976 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1357 (220158 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1353 (125615 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1351 (149183 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1361 (105835 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1349 (125272 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1355 (244870 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1355 (123629 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1351 (154548 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1358 (189593 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1360 (147735 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1874 (111748 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 47, first atom 1352 (206641 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1351 (114360 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1359 (951789 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 50, first atom 1359 (1090929 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1357 (312624 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1866 (116874 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1358 (208156 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1356 (376819 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1356 (107304 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1356 (149973 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1356 (144648 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1359 (125432 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1356 (172111 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1357 (113565 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1357 (108013 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1356 (137747 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 100, first atom 1359 (128419 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 101, first atom 1356 (142572 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 103, first atom 1356 (644650 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 107, first atom 1356 (155224 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.80 Cell vol: 207.40 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.99 Å
+Added 6028 / 6092 solvent mols in 436 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40817 ms
+Warn: 20 atom(s) hit accel clamp on step 0, first atom 984 (141583 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1382 (102348 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1042 (141667 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1337 (134928 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.38 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5907 / 6045 solvent mols in 382 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41879 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.38 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5907 / 6045 solvent mols in 350 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39877 ms
+Warn: 16 atom(s) hit accel clamp on step 0, first atom 1116 (107467 -> 100000)
+Warn: 136 atom(s) hit accel clamp on step 1, first atom 0 (304607 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 2, first atom 417 (371093 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 3, first atom 407 (133445 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 4, first atom 994 (182327 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 5, first atom 392 (135333 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 6, first atom 994 (297666 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 418 (148469 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 8, first atom 1059 (130606 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 9, first atom 996 (181957 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 10, first atom 410 (124749 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 11, first atom 998 (121264 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 12, first atom 995 (153909 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 13, first atom 997 (145814 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 14, first atom 412 (158394 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 15, first atom 1353 (114539 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 16, first atom 418 (148667 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1340 (101246 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 999 (134879 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 19, first atom 411 (106730 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 20, first atom 411 (107732 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 1346 (2054741 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 22, first atom 1162 (107367 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1349 (196955 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1350 (216235 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 410 (130637 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1351 (130027 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1159 (286428 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1357 (174125 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1152 (107795 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 997 (324699 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 997 (104146 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1356 (127381 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1157 (100528 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1359 (101721 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1354 (124610 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1350 (105512 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1207 (101791 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1352 (128253 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1207 (104573 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1351 (214392 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1351 (677852 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1351 (153486 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1351 (153230 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1351 (112344 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1881 (118490 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1354 (145254 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1352 (2105059 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1352 (179318 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1352 (161536 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1352 (124056 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1353 (135978 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1352 (125496 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 997 (352743 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1358 (159672 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1346 (408189 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1357 (109297 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1352 (155902 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1352 (115697 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1352 (433954 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 0, first atom 1029 (173175 -> 100000)
+Warn: 155 atom(s) hit accel clamp on step 1, first atom 0 (304619 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 2, first atom 420 (370483 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 3, first atom 410 (121928 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 4, first atom 991 (190554 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 5, first atom 395 (149664 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 6, first atom 991 (297790 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 7, first atom 421 (152830 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 8, first atom 1075 (130341 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 9, first atom 1318 (222578 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 10, first atom 413 (130098 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 11, first atom 992 (202725 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 12, first atom 992 (352576 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 13, first atom 994 (240000 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 14, first atom 414 (103935 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 1318 (116508 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 16, first atom 421 (173859 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 17, first atom 1318 (123455 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 18, first atom 1354 (133245 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 1369 (100956 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 414 (108924 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 994 (127445 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1213 (100199 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1492 (137389 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1486 (184433 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1887 (138916 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1369 (117528 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1213 (100460 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1363 (109836 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 994 (259252 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 995 (111262 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1209 (101374 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 421 (106597 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 997 (105419 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1481 (105091 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1353 (125970 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1353 (157849 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1358 (110166 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1361 (101408 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1890 (121097 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 41, first atom 1351 (157215 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1358 (158461 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1360 (206737 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1361 (147842 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1471 (105131 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1478 (285320 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1471 (105023 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1350 (101846 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1350 (105458 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1356 (158493 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1369 (125257 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1356 (111909 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1356 (168269 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.82 Cell vol: 207.40 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.99 Å
+Added 6029 / 6093 solvent mols in 355 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42222 ms
+Warn: 21 atom(s) hit accel clamp on step 0, first atom 996 (160030 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1390 (109314 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1054 (114888 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 6, first atom 1144 (113547 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.40 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5909 / 6046 solvent mols in 353 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40220 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.40 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5909 / 6046 solvent mols in 355 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40580 ms
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1041 (267460 -> 100000)
+Warn: 161 atom(s) hit accel clamp on step 1, first atom 0 (304320 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 2, first atom 426 (369391 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 3, first atom 416 (126346 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 4, first atom 1005 (256973 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 5, first atom 401 (147695 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 6, first atom 1003 (152292 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 7, first atom 1003 (147513 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 8, first atom 1003 (109589 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 9, first atom 1324 (123678 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 10, first atom 419 (129784 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 11, first atom 1007 (117580 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 1006 (116622 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 13, first atom 1006 (297662 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 14, first atom 421 (160910 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 15, first atom 1003 (185654 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 427 (136928 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 17, first atom 1370 (372629 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 427 (125577 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 19, first atom 1362 (115898 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1261 (103299 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 1007 (100702 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1224 (104074 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1366 (559362 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 1003 (113288 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1359 (127754 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 419 (166026 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1495 (101082 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1365 (400562 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1365 (449677 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 420 (174426 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1008 (120210 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1368 (133755 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1363 (122469 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1356 (112323 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1362 (578546 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1362 (418079 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1368 (108412 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1362 (125345 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1363 (127334 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1362 (169402 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1366 (287605 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1366 (237219 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1365 (983363 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1365 (1325295 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1356 (122990 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1485 (103521 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1364 (123256 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1364 (112536 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1363 (106509 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1364 (130317 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.82 Cell vol: 207.40 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.99 Å
+Added 6029 / 6093 solvent mols in 361 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42353 ms
+Warn: 15 atom(s) hit accel clamp on step 0, first atom 1049 (347749 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1049 (187852 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1063 (105578 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1356 (167380 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1339 (117221 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.40 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5909 / 6046 solvent mols in 352 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39664 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.40 Cell vol: 206.01 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.61 Å
+Added 5909 / 6046 solvent mols in 366 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42324 ms
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 1268 (101422 -> 100000)
+Warn: 168 atom(s) hit accel clamp on step 1, first atom 0 (304463 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 2, first atom 146 (118982 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 3, first atom 54 (174762 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 4, first atom 146 (211807 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 5, first atom 1015 (163922 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 6, first atom 1025 (351132 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 7, first atom 1080 (116152 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 8, first atom 1017 (265495 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 9, first atom 1053 (183801 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 10, first atom 1017 (283999 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 11, first atom 1015 (188259 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 12, first atom 1015 (457587 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 13, first atom 1018 (492560 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 14, first atom 1018 (119349 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 1015 (148442 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1015 (173283 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 161 (104463 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 18, first atom 1054 (920876 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 1054 (187674 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 20, first atom 1055 (291156 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1058 (117629 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1053 (195564 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1053 (255799 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1168 (151815 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1061 (142937 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1053 (147434 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1155 (116675 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1156 (105556 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1180 (162587 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1164 (106708 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1054 (178068 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1020 (257183 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1021 (109016 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1025 (117603 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1164 (128080 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1142 (140417 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1073 (667681 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1069 (111261 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1073 (121267 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1164 (118449 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1164 (177116 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1062 (108608 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 47, first atom 1155 (149178 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1054 (228675 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1055 (102380 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1164 (200820 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1517 (136486 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1057 (108744 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1062 (159365 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1283 (202362 -> 100000)
+Warn: 189 atom(s) hit accel clamp on step 1, first atom 0 (304507 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 2, first atom 146 (122740 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 3, first atom 54 (174399 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 4, first atom 146 (210828 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 5, first atom 406 (152897 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 6, first atom 1023 (462820 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 7, first atom 1143 (176926 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 8, first atom 1015 (223136 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 9, first atom 1051 (152928 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 10, first atom 424 (161488 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 11, first atom 1013 (153828 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 12, first atom 1013 (554457 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 13, first atom 29 (152158 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 14, first atom 425 (129428 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 15, first atom 1013 (120574 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 16, first atom 432 (211590 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 17, first atom 1051 (618013 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 1052 (311718 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 19, first atom 1051 (130418 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 20, first atom 432 (101770 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 21, first atom 1062 (348150 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1051 (251937 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 23, first atom 1051 (298706 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 24, first atom 1045 (217440 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1016 (148889 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 26, first atom 1051 (247457 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1052 (128315 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1053 (193343 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1016 (100649 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1016 (177349 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1048 (240878 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1340 (107696 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1158 (132991 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1154 (205212 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 35, first atom 1154 (152793 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1159 (106104 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 37, first atom 423 (155263 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1059 (167803 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 421 (183837 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 421 (168462 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 41, first atom 1375 (212243 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1377 (113460 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1071 (148314 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1376 (193270 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1377 (258061 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1377 (102083 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1063 (107746 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1379 (222203 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1044 (118964 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1057 (100336 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1063 (120602 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1063 (104866 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1153 (165963 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1046 (114470 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1383 (100277 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1071 (106178 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1376 (243768 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 61, first atom 1376 (305343 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1070 (102118 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1376 (218299 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1380 (876456 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1376 (239866 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1377 (126837 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 67, first atom 1071 (111990 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 68, first atom 1377 (381021 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1377 (102649 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1377 (221603 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1377 (103889 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1071 (108573 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 74, first atom 1377 (624454 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1377 (735930 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1377 (1570780 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1379 (830757 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1379 (127371 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1378 (133685 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 84, first atom 1377 (115338 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1377 (127556 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 100, first atom 1376 (205222 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1430 (296644 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1438 (131744 -> 100000)
+Warn: 224 atom(s) hit accel clamp on step 10, first atom 0 (306067 -> 100000)
+Warn: 87 atom(s) hit accel clamp on step 11, first atom 1 (377342 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 12, first atom 34 (176800 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 13, first atom 34 (155119 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 14, first atom 161 (141086 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 15, first atom 34 (111599 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 16, first atom 436 (117688 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 17, first atom 1013 (117970 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 18, first atom 1040 (4250185 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 19, first atom 1001 (222076 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 20, first atom 1005 (114179 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 21, first atom 1004 (373232 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 22, first atom 420 (183316 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 23, first atom 421 (123737 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 24, first atom 1004 (137122 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 25, first atom 1004 (144151 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 26, first atom 1005 (212192 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 27, first atom 1045 (111059 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 28, first atom 1005 (231291 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 29, first atom 1032 (100582 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 30, first atom 163 (135255 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 31, first atom 420 (215014 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 32, first atom 438 (173743 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 33, first atom 163 (104095 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 34, first atom 158 (131433 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 35, first atom 1028 (102095 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 36, first atom 1077 (107473 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 37, first atom 1127 (115465 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 38, first atom 1032 (111540 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 39, first atom 1032 (194188 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 40, first atom 1034 (131152 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 41, first atom 1004 (217766 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 42, first atom 1011 (173779 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 43, first atom 1011 (107843 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1188 (276800 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 45, first atom 1011 (213873 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 46, first atom 1011 (307503 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 47, first atom 1064 (134627 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 48, first atom 1011 (188244 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 49, first atom 1011 (381069 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 50, first atom 1011 (175014 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 51, first atom 1028 (170315 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 436 (168106 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1028 (509693 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 54, first atom 1014 (111577 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 55, first atom 1014 (128955 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 56, first atom 1360 (193164 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 57, first atom 695 (354380 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1364 (161664 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 59, first atom 1152 (111179 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 60, first atom 690 (108641 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 61, first atom 1039 (170238 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 62, first atom 1157 (212509 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 63, first atom 1004 (130845 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 64, first atom 1152 (144335 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1150 (135822 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1141 (164621 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1596 (232869 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1595 (162931 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 70, first atom 1350 (114794 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 71, first atom 1368 (111097 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 72, first atom 1595 (114444 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1595 (133191 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1607 (101831 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1343 (133786 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 76, first atom 1369 (179699 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 77, first atom 1356 (104284 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1601 (119025 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1356 (128209 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 82, first atom 1356 (141629 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1597 (118843 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 86, first atom 1363 (119127 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 87, first atom 1153 (129629 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1373 (113920 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 105, first atom 1166 (212266 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 1286 (403445 -> 100000)
+Warn: 176 atom(s) hit accel clamp on step 1, first atom 0 (304401 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 2, first atom 146 (118701 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 3, first atom 54 (174749 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 4, first atom 146 (213680 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 5, first atom 406 (150433 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 6, first atom 1026 (446534 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 7, first atom 1081 (125341 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 8, first atom 1018 (236016 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 9, first atom 1024 (107452 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 10, first atom 424 (165335 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 11, first atom 1016 (193117 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 12, first atom 1016 (176855 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 13, first atom 1019 (121177 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 14, first atom 425 (143116 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 15, first atom 1016 (145805 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 16, first atom 432 (218610 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 17, first atom 432 (194576 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 18, first atom 437 (101895 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 19, first atom 1054 (123909 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 20, first atom 425 (122560 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 21, first atom 1020 (215611 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 22, first atom 1020 (121004 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 23, first atom 1019 (106480 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 1056 (127742 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 25, first atom 1048 (207483 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 427 (234566 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 27, first atom 425 (107763 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 28, first atom 426 (103283 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 29, first atom 432 (137481 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1182 (101873 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1385 (171919 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1382 (142556 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 425 (153212 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 432 (132969 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1054 (143198 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1054 (164749 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 37, first atom 1054 (156211 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1074 (105225 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1388 (144543 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1374 (179404 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 41, first atom 1206 (141434 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1375 (150743 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 43, first atom 432 (199363 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 44, first atom 423 (101689 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 45, first atom 1379 (356497 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 46, first atom 1372 (115650 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1054 (152362 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 48, first atom 1054 (120400 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 49, first atom 1063 (101761 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1379 (129740 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 51, first atom 1372 (164911 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 52, first atom 1066 (180331 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1372 (100498 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 430 (144513 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1054 (107829 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1384 (307020 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1063 (122428 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1369 (106876 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1372 (108896 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1165 (102357 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1379 (120030 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 427 (120719 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1379 (196181 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1072 (111330 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1381 (142875 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1386 (103408 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1386 (144140 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1384 (139705 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1384 (105433 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 75, first atom 1381 (130188 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 76, first atom 1055 (108275 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1384 (123567 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1386 (153467 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 83, first atom 1382 (281109 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1382 (138270 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1387 (104790 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 91, first atom 1386 (529282 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 92, first atom 1386 (324877 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1386 (102213 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1384 (100575 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 98, first atom 1374 (106015 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 112, first atom 1385 (113625 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.67 Cell vol: 207.40 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.99 Å
+Added 6025 / 6088 solvent mols in 359 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41660 ms
+Warn: 22 atom(s) hit accel clamp on step 0, first atom 1044 (108590 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1061 (152554 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1353 (104233 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1371 (191258 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1371 (189238 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1061 (107778 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1353 (110934 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.31 Cell vol: 207.09 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.92 Å
+Added 6021 / 6076 solvent mols in 366 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42419 ms
+Initializing solvent molecules...
+Solvent-free vol: 182.31 Cell vol: 207.09 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.92 Å
+Added 6021 / 6076 solvent mols in 356 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41370 ms
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1418 (191686 -> 100000)
+Warn: 222 atom(s) hit accel clamp on step 1, first atom 0 (304231 -> 100000)
+Warn: 96 atom(s) hit accel clamp on step 2, first atom 146 (119854 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 3, first atom 54 (174569 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 4, first atom 146 (206848 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 5, first atom 161 (452744 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 6, first atom 161 (175104 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 7, first atom 432 (121936 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 8, first atom 1061 (2083767 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 9, first atom 309 (116809 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 10, first atom 312 (100147 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 11, first atom 1024 (119164 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 12, first atom 310 (164396 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 13, first atom 441 (121375 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 14, first atom 426 (151500 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 15, first atom 1061 (2145404 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 16, first atom 317 (142567 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 17, first atom 1059 (335616 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1059 (164777 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 19, first atom 425 (109849 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 20, first atom 1059 (213025 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 21, first atom 1075 (112091 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 22, first atom 1059 (179289 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 23, first atom 1059 (242809 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1059 (827185 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 25, first atom 1059 (217797 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 26, first atom 1060 (298291 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1382 (136350 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 28, first atom 1059 (128581 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 426 (146264 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 30, first atom 1059 (101045 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 31, first atom 167 (172143 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1061 (180086 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1171 (217132 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1175 (174597 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1072 (116012 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 36, first atom 1065 (113146 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 37, first atom 427 (164919 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 38, first atom 1030 (110537 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1389 (169779 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 1072 (111545 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1412 (140470 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 1060 (104073 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 43, first atom 1060 (101322 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1024 (104680 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 45, first atom 1167 (104417 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 46, first atom 1067 (165844 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1067 (251192 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 48, first atom 1024 (124850 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 49, first atom 1174 (231758 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1398 (144738 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1293 (117130 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 52, first atom 1061 (109138 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 53, first atom 1293 (117926 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 54, first atom 1393 (160041 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1395 (122562 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1291 (253800 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 57, first atom 1160 (144454 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1068 (121788 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 59, first atom 1077 (192021 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1389 (145861 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 61, first atom 1182 (106509 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1393 (116534 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1390 (111281 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1174 (118109 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1160 (109157 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1387 (137381 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 68, first atom 1290 (191823 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1393 (143905 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1391 (118068 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1164 (130035 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1402 (102131 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1393 (121096 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1391 (135145 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1392 (144095 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 84, first atom 1390 (128479 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1391 (268536 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 95, first atom 1387 (181069 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1458 (390271 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1458 (155110 -> 100000)
+Warn: 229 atom(s) hit accel clamp on step 7, first atom 0 (304721 -> 100000)
+Warn: 92 atom(s) hit accel clamp on step 8, first atom 1 (155961 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 9, first atom 34 (176263 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 10, first atom 34 (134837 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 11, first atom 161 (583322 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 12, first atom 34 (127282 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 13, first atom 1048 (625899 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 14, first atom 1048 (272148 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 15, first atom 991 (124417 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 16, first atom 424 (133792 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 17, first atom 1048 (201526 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 18, first atom 1048 (113193 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 19, first atom 432 (127618 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 20, first atom 1019 (121185 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 21, first atom 943 (131532 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 22, first atom 1019 (140682 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 23, first atom 431 (105084 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 24, first atom 425 (171055 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 25, first atom 1050 (152190 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 26, first atom 1048 (111855 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 27, first atom 1020 (103729 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 28, first atom 1020 (117223 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 29, first atom 1021 (189906 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 30, first atom 425 (128103 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1049 (104293 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 32, first atom 1056 (133758 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 33, first atom 1050 (118234 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 34, first atom 1055 (139441 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 35, first atom 1055 (131977 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 36, first atom 1055 (170002 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 37, first atom 1055 (178555 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 38, first atom 1049 (299162 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 39, first atom 1055 (117497 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1284 (101414 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 41, first atom 1049 (110966 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 42, first atom 1058 (659560 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 43, first atom 1048 (427195 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 44, first atom 1048 (204451 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 45, first atom 1048 (349462 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 46, first atom 1048 (294942 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1156 (135164 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 48, first atom 1191 (244781 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1284 (164568 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1140 (862217 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1398 (104676 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 54, first atom 1156 (115619 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 55, first atom 1274 (112080 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1056 (104833 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1387 (427265 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1165 (149764 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1019 (451247 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 60, first atom 1019 (105859 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 61, first atom 1158 (320148 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 62, first atom 1158 (141665 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 63, first atom 1067 (111300 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1165 (104977 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1384 (149926 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1044 (109535 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1383 (160904 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1166 (125900 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1840 (105606 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 72, first atom 1056 (251251 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1386 (136004 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1386 (119775 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1447 (275891 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1455 (103069 -> 100000)
+Warn: 234 atom(s) hit accel clamp on step 11, first atom 0 (305773 -> 100000)
+Warn: 98 atom(s) hit accel clamp on step 12, first atom 1 (367086 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 13, first atom 34 (175705 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 14, first atom 34 (155213 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 15, first atom 161 (321750 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 16, first atom 34 (102713 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 17, first atom 1028 (116886 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 18, first atom 299 (156015 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 19, first atom 1013 (314529 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 20, first atom 1013 (119485 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 21, first atom 442 (100753 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 22, first atom 1028 (294076 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 23, first atom 432 (104166 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 24, first atom 441 (123403 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 25, first atom 1016 (394461 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 26, first atom 1045 (145418 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 27, first atom 1017 (105174 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 28, first atom 1045 (141844 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 29, first atom 1027 (117475 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 30, first atom 443 (179347 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 31, first atom 1016 (369330 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 32, first atom 1016 (519920 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 33, first atom 1016 (294033 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 34, first atom 1041 (132640 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 35, first atom 1045 (135162 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 36, first atom 1045 (104413 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 37, first atom 442 (167302 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 38, first atom 1045 (157131 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 39, first atom 1041 (113385 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 40, first atom 1018 (122496 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 41, first atom 1052 (103422 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 1052 (154810 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 43, first atom 1045 (129116 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1174 (173587 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 45, first atom 1187 (114690 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 46, first atom 1045 (248880 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 47, first atom 1045 (179604 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1045 (364524 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1026 (145431 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 50, first atom 1045 (102776 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 51, first atom 1163 (138983 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1164 (146879 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1157 (180027 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1376 (122482 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 55, first atom 1163 (356485 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 56, first atom 1163 (400077 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1285 (147805 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1163 (131770 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 59, first atom 1023 (292025 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 60, first atom 1023 (203551 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 61, first atom 1052 (130173 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1391 (159478 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1387 (238668 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1163 (185172 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1232 (114905 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1394 (136740 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1023 (119103 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1017 (139829 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1054 (130188 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 73, first atom 1375 (108667 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1160 (195688 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1154 (103420 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1380 (227984 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1156 (116631 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1391 (124549 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1710 (191254 -> 100000)
+Warn: 216 atom(s) hit accel clamp on step 6, first atom 0 (305014 -> 100000)
+Warn: 91 atom(s) hit accel clamp on step 7, first atom 1 (180861 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 8, first atom 34 (177132 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 9, first atom 34 (152994 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 10, first atom 161 (228615 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 11, first atom 34 (114409 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 12, first atom 1051 (648350 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 13, first atom 1051 (255472 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 14, first atom 309 (113890 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 15, first atom 427 (116937 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 16, first atom 1023 (117513 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 17, first atom 310 (165284 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 18, first atom 1022 (160974 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 19, first atom 34 (167476 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 20, first atom 1022 (105135 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 21, first atom 1051 (166749 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 22, first atom 1047 (209192 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 23, first atom 1022 (170763 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 24, first atom 1022 (254512 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 25, first atom 1023 (374703 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 26, first atom 159 (115630 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 27, first atom 135 (140766 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 28, first atom 1023 (141801 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 29, first atom 1047 (529324 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 30, first atom 1023 (1260122 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 31, first atom 428 (152887 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 32, first atom 424 (172397 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 33, first atom 1058 (323977 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 34, first atom 1052 (133669 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 35, first atom 1058 (154698 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 36, first atom 432 (117364 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 37, first atom 1058 (124651 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 38, first atom 1031 (104117 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 39, first atom 1058 (269041 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 40, first atom 1051 (405462 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 41, first atom 424 (105937 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 42, first atom 1047 (129541 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 43, first atom 1143 (104851 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1031 (132193 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 45, first atom 432 (103831 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 46, first atom 1047 (104252 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 47, first atom 1047 (147702 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 48, first atom 1059 (126429 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 49, first atom 1059 (407612 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1290 (116016 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 51, first atom 1173 (102452 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1289 (128920 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 53, first atom 1047 (103643 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 54, first atom 817 (156560 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 55, first atom 1047 (111121 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 56, first atom 1023 (133670 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1059 (165013 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1388 (180247 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1388 (162166 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1048 (121118 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 61, first atom 1048 (151957 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 62, first atom 1159 (325681 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1164 (107807 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1162 (106770 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1289 (115010 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1104 (664822 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1104 (1329610 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1104 (155734 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1386 (125355 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 70, first atom 1144 (112854 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1386 (334720 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1105 (112447 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 73, first atom 1105 (2688168 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 74, first atom 1091 (118859 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1482 (115181 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1106 (139145 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 77, first atom 1052 (124262 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1052 (113780 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 81, first atom 1390 (100866 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1109 (126630 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 68 (259840 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 84, first atom 80 (304864 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1085 (172400 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 86, first atom 1723 (355563 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 87, first atom 1085 (222991 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1109 (872607 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 89, first atom 1085 (105914 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1587 (1323913 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 91, first atom 1587 (223441 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 92, first atom 1128 (106619 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1114 (385819 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 94, first atom 1114 (449029 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1122 (155512 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 98, first atom 1136 (143424 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 99, first atom 1862 (4151265 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 100, first atom 1861 (435066 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 101, first atom 1122 (134507 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 102, first atom 1892 (4142791 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 103, first atom 1430 (222144 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 104, first atom 1430 (405073 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 105, first atom 529 (119430 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 106, first atom 1461 (311204 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 107, first atom 226 (166890 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 108, first atom 1461 (263255 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 109, first atom 1461 (252953 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 110, first atom 1461 (108780 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 111, first atom 1406 (136196 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 112, first atom 1218 (320918 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 113, first atom 1218 (220922 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 114, first atom 1521 (189923 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 115, first atom 1430 (167392 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 116, first atom 1461 (267005 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 117, first atom 1456 (101889 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 118, first atom 1461 (209908 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 119, first atom 280 (296888 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 120, first atom 596 (179144 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 121, first atom 194 (201990 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 122, first atom 1023 (308753 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 123, first atom 573 (132521 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 124, first atom 1025 (205789 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 125, first atom 535 (119028 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 126, first atom 566 (130485 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 127, first atom 1087 (625134 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 128, first atom 1104 (100754 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 129, first atom 85 (148592 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 130, first atom 1029 (112858 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 131, first atom 126 (110170 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 132, first atom 1029 (184011 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 133, first atom 1029 (168889 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 134, first atom 1096 (233045 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 135, first atom 1029 (283592 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 136, first atom 278 (193995 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 137, first atom 1031 (3052886 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 138, first atom 1032 (118257 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 139, first atom 1085 (633219 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 140, first atom 174 (347083 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 141, first atom 104 (331278 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 142, first atom 969 (255300 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 143, first atom 1029 (142825 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 144, first atom 1029 (255288 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 145, first atom 287 (136554 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 146, first atom 1022 (306086 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 147, first atom 1029 (159227 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 148, first atom 3 (132497 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 149, first atom 277 (105206 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 150, first atom 625 (119119 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 151, first atom 598 (260718 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 152, first atom 810 (255046 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 153, first atom 147 (167881 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 154, first atom 191 (354308 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 155, first atom 75 (161966 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 156, first atom 858 (347117 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 157, first atom 105 (231583 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 158, first atom 36 (282220 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 159, first atom 404 (119884 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 160, first atom 13 (128450 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 161, first atom 45 (347998 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 162, first atom 15 (252876 -> 100000)
+Warn: 83 atom(s) hit accel clamp on step 163, first atom 172 (152329 -> 100000)
+Warn: 110 atom(s) hit accel clamp on step 164, first atom 25 (121020 -> 100000)
+Warn: 98 atom(s) hit accel clamp on step 165, first atom 195 (100221 -> 100000)
+Warn: 106 atom(s) hit accel clamp on step 166, first atom 191 (131142 -> 100000)
+Warn: 117 atom(s) hit accel clamp on step 167, first atom 181 (337077 -> 100000)
+Warn: 149 atom(s) hit accel clamp on step 168, first atom 25 (317645 -> 100000)
+Warn: 139 atom(s) hit accel clamp on step 169, first atom 25 (155918 -> 100000)
+Warn: 170 atom(s) hit accel clamp on step 170, first atom 40 (312416 -> 100000)
+Warn: 175 atom(s) hit accel clamp on step 171, first atom 39 (173887 -> 100000)
+Warn: 188 atom(s) hit accel clamp on step 172, first atom 5 (292381 -> 100000)
+Warn: 201 atom(s) hit accel clamp on step 173, first atom 51 (151522 -> 100000)
+Warn: 226 atom(s) hit accel clamp on step 174, first atom 98 (280295 -> 100000)
+Warn: 231 atom(s) hit accel clamp on step 175, first atom 26 (295271 -> 100000)
+Warn: 259 atom(s) hit accel clamp on step 176, first atom 99 (189382 -> 100000)
+Warn: 273 atom(s) hit accel clamp on step 177, first atom 48 (129049 -> 100000)
+Warn: 282 atom(s) hit accel clamp on step 178, first atom 20 (277208 -> 100000)
+Warn: 310 atom(s) hit accel clamp on step 179, first atom 27 (165580 -> 100000)
+Warn: 339 atom(s) hit accel clamp on step 180, first atom 3 (260373 -> 100000)
+Warn: 354 atom(s) hit accel clamp on step 181, first atom 3 (109857 -> 100000)
+Warn: 390 atom(s) hit accel clamp on step 182, first atom 84 (182011 -> 100000)
+Warn: 416 atom(s) hit accel clamp on step 183, first atom 64 (185851 -> 100000)
+Warn: 466 atom(s) hit accel clamp on step 184, first atom 2 (354594 -> 100000)
+Warn: 485 atom(s) hit accel clamp on step 185, first atom 1 (116601 -> 100000)
+Warn: 497 atom(s) hit accel clamp on step 186, first atom 22 (328005 -> 100000)
+Warn: 516 atom(s) hit accel clamp on step 187, first atom 27 (233189 -> 100000)
+Warn: 550 atom(s) hit accel clamp on step 188, first atom 6 (142987 -> 100000)
+Warn: 588 atom(s) hit accel clamp on step 189, first atom 9 (361512 -> 100000)
+Warn: 657 atom(s) hit accel clamp on step 190, first atom 4 (384034 -> 100000)
+Warn: 709 atom(s) hit accel clamp on step 191, first atom 6 (207953 -> 100000)
+Warn: 758 atom(s) hit accel clamp on step 192, first atom 0 (294443 -> 100000)
+Warn: 835 atom(s) hit accel clamp on step 193, first atom 0 (298245 -> 100000)
+Warn: 868 atom(s) hit accel clamp on step 194, first atom 1 (347634 -> 100000)
+Warn: 950 atom(s) hit accel clamp on step 195, first atom 6 (128912 -> 100000)
+Warn: 971 atom(s) hit accel clamp on step 196, first atom 1 (207360 -> 100000)
+Warn: 1014 atom(s) hit accel clamp on step 197, first atom 0 (299659 -> 100000)
+Warn: 1062 atom(s) hit accel clamp on step 198, first atom 3 (288660 -> 100000)
+Warn: 1105 atom(s) hit accel clamp on step 199, first atom 3 (176312 -> 100000)
+Warn: 1126 atom(s) hit accel clamp on step 200, first atom 0 (740531 -> 100000)
+Warn: 1192 atom(s) hit accel clamp on step 201, first atom 0 (283485 -> 100000)
+Warn: 1257 atom(s) hit accel clamp on step 202, first atom 0 (294973 -> 100000)
+Warn: 1235 atom(s) hit accel clamp on step 203, first atom 1 (219320 -> 100000)
+Warn: 1267 atom(s) hit accel clamp on step 204, first atom 0 (124925 -> 100000)
+Warn: 1319 atom(s) hit accel clamp on step 205, first atom 0 (148968 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.60 Cell vol: 207.40 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.99 Å
+Added 6022 / 6086 solvent mols in 375 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42157 ms
+Warn: 20 atom(s) hit accel clamp on step 0, first atom 1049 (666084 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1066 (194571 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 2, first atom 1080 (105153 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1376 (100603 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.24 Cell vol: 207.09 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.92 Å
+Added 6018 / 6074 solvent mols in 357 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41251 ms
+Initializing solvent molecules...
+Solvent-free vol: 182.24 Cell vol: 207.09 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.92 Å
+Added 6018 / 6074 solvent mols in 358 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42235 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1461 (340749 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1461 (146769 -> 100000)
+Warn: 220 atom(s) hit accel clamp on step 6, first atom 0 (304416 -> 100000)
+Warn: 93 atom(s) hit accel clamp on step 7, first atom 1 (161327 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 8, first atom 1 (106928 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 9, first atom 34 (154164 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 10, first atom 161 (585912 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 11, first atom 34 (118638 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 12, first atom 432 (101761 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 13, first atom 441 (113883 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 14, first atom 996 (146113 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 15, first atom 1022 (160790 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 16, first atom 160 (128524 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 17, first atom 1022 (106637 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 18, first atom 317 (132093 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 19, first atom 1021 (151335 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 20, first atom 1084 (308944 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 21, first atom 1025 (385482 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 22, first atom 167 (159238 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 23, first atom 425 (109344 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 24, first atom 1031 (143970 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 25, first atom 1060 (141218 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 26, first atom 1053 (148695 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 27, first atom 312 (116335 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 28, first atom 1053 (197868 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 29, first atom 134 (140319 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 30, first atom 1025 (135374 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 31, first atom 1026 (101693 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 32, first atom 130 (103559 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 33, first atom 130 (129129 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 34, first atom 1146 (185860 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1343 (105099 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 36, first atom 131 (365626 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 37, first atom 1168 (529604 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1233 (125332 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1360 (116374 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 40, first atom 1031 (111831 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 41, first atom 427 (112260 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 42, first atom 1145 (216700 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 43, first atom 1146 (141099 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 44, first atom 1034 (113802 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 45, first atom 1146 (427143 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 46, first atom 1053 (289269 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 47, first atom 1053 (134384 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 48, first atom 426 (104231 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 49, first atom 1049 (211528 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 50, first atom 1060 (109507 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 51, first atom 133 (102853 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 52, first atom 133 (187859 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 53, first atom 1144 (334485 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1388 (181102 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1146 (105347 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 56, first atom 1146 (2101219 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1146 (1081724 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 58, first atom 424 (313009 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 59, first atom 1148 (145704 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1170 (100510 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 61, first atom 1146 (1085004 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 63, first atom 1146 (200965 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1146 (209305 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1146 (116546 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 66, first atom 1137 (109997 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1152 (179491 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1292 (138726 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1179 (117527 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1149 (188520 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1149 (262710 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1144 (138606 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1394 (194579 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 75, first atom 1144 (319866 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 76, first atom 1144 (204813 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1292 (115743 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 78, first atom 1144 (173078 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 79, first atom 1144 (116192 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 81, first atom 1144 (199096 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1144 (103669 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1152 (178986 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1149 (144252 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 87, first atom 1144 (103257 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 88, first atom 1149 (168182 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1144 (105335 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1145 (156643 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 97, first atom 1144 (129402 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1144 (101617 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1468 (389019 -> 100000)
+Warn: 212 atom(s) hit accel clamp on step 1, first atom 0 (304507 -> 100000)
+Warn: 87 atom(s) hit accel clamp on step 2, first atom 146 (116026 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 3, first atom 54 (174518 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 4, first atom 146 (217480 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 5, first atom 161 (439674 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 6, first atom 161 (209790 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 7, first atom 432 (122383 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 8, first atom 1028 (213639 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 9, first atom 309 (137860 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 10, first atom 312 (104834 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 11, first atom 1030 (134709 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 12, first atom 310 (159736 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 13, first atom 441 (105524 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 14, first atom 426 (153086 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 15, first atom 1068 (126685 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 16, first atom 1028 (165999 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 17, first atom 162 (129288 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 18, first atom 1073 (112836 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 19, first atom 427 (101622 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 20, first atom 1069 (181683 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 21, first atom 1064 (288669 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 22, first atom 1067 (234590 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1067 (600095 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 24, first atom 1067 (285660 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 25, first atom 1067 (372951 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 26, first atom 1067 (170186 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 27, first atom 1068 (122019 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 28, first atom 1156 (227889 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 29, first atom 1168 (133654 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 30, first atom 1069 (325557 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 31, first atom 1069 (160682 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 32, first atom 1156 (209506 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1177 (2082304 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1177 (126059 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 35, first atom 1081 (125078 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1177 (158523 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1388 (106269 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1152 (132490 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1177 (155060 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1299 (126959 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 41, first atom 1177 (249704 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1092 (152419 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 43, first atom 1092 (120982 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1299 (231161 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1173 (126590 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1179 (117434 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 47, first atom 1179 (132757 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1069 (112511 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1399 (1037072 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 424 (106731 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 51, first atom 1297 (124136 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 52, first atom 1169 (125662 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1169 (142202 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 55, first atom 1169 (140821 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 56, first atom 1153 (187222 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1397 (163757 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1183 (156209 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1179 (163144 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1395 (101274 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1075 (152929 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1395 (123525 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1389 (122979 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1389 (145944 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1401 (181891 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1400 (104067 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1400 (100907 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1397 (134415 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1400 (133338 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1181 (121881 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.57 Cell vol: 207.40 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.99 Å
+Added 6024 / 6085 solvent mols in 371 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43443 ms
+Warn: 23 atom(s) hit accel clamp on step 0, first atom 1025 (112510 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1067 (149675 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1419 (143720 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1377 (196596 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1377 (122535 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 7, first atom 1668 (114309 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.21 Cell vol: 207.09 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.92 Å
+Added 6017 / 6073 solvent mols in 373 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42788 ms
+Initializing solvent molecules...
+Solvent-free vol: 182.21 Cell vol: 207.09 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.92 Å
+Added 6017 / 6073 solvent mols in 358 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42577 ms
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1443 (130242 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1461 (176513 -> 100000)
+Warn: 230 atom(s) hit accel clamp on step 5, first atom 0 (304609 -> 100000)
+Warn: 96 atom(s) hit accel clamp on step 6, first atom 146 (207802 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 7, first atom 34 (177212 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 8, first atom 34 (155278 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 9, first atom 161 (477659 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 10, first atom 34 (112539 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 11, first atom 1020 (121673 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 12, first atom 125 (155712 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 13, first atom 309 (105278 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 14, first atom 1019 (331919 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 15, first atom 122 (108339 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 16, first atom 317 (102726 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 17, first atom 432 (238655 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 18, first atom 432 (197502 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 19, first atom 432 (208741 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 20, first atom 430 (107095 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 21, first atom 426 (117652 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 22, first atom 425 (103047 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 23, first atom 1030 (115894 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 24, first atom 1052 (222316 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 25, first atom 1022 (157881 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 26, first atom 1059 (447565 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 27, first atom 1052 (119875 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 28, first atom 1066 (247694 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 29, first atom 1039 (120081 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 30, first atom 1058 (110790 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 31, first atom 424 (184847 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 32, first atom 1022 (207416 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 33, first atom 426 (127485 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 34, first atom 1058 (284849 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 35, first atom 1052 (124795 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 36, first atom 1162 (156482 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 37, first atom 1061 (111450 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 38, first atom 1143 (158732 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 39, first atom 1047 (167595 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 40, first atom 1068 (108552 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 41, first atom 1162 (159613 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 42, first atom 1059 (147327 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 43, first atom 426 (156618 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 44, first atom 428 (170801 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 45, first atom 1047 (130585 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 46, first atom 428 (121359 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 47, first atom 1052 (734159 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 48, first atom 1052 (124711 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1386 (109149 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 50, first atom 1162 (217309 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1065 (103107 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1171 (171798 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1170 (143893 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 54, first atom 421 (184986 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1389 (137290 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 56, first atom 1142 (100430 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1170 (203950 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1146 (111618 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1174 (320240 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1173 (109964 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1173 (108522 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 62, first atom 1047 (121786 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 63, first atom 1161 (166755 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1172 (336410 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1163 (100463 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1137 (157927 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 67, first atom 1162 (138729 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 68, first atom 1162 (115729 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 69, first atom 1047 (101193 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 71, first atom 1170 (162813 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1396 (118387 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1519 (136314 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1170 (154575 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1389 (187381 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 81, first atom 1383 (155812 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1393 (114437 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1074 (138348 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1687 (107236 -> 100000)
+Warn: 206 atom(s) hit accel clamp on step 5, first atom 0 (304826 -> 100000)
+Warn: 81 atom(s) hit accel clamp on step 6, first atom 146 (224035 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 7, first atom 313 (108330 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 8, first atom 146 (141621 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 9, first atom 146 (111778 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 10, first atom 52 (108395 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 11, first atom 1031 (102314 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 12, first atom 1077 (159319 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 13, first atom 309 (150206 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 14, first atom 312 (120906 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 15, first atom 1032 (397847 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 16, first atom 317 (149084 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 17, first atom 432 (249685 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 18, first atom 432 (216961 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 19, first atom 1078 (156447 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 20, first atom 1034 (206938 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 21, first atom 431 (115207 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 22, first atom 1079 (107352 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 23, first atom 1172 (149158 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 24, first atom 1089 (123590 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 25, first atom 1089 (149050 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 26, first atom 1070 (132499 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 27, first atom 1089 (215196 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1156 (168600 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1033 (111778 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 30, first atom 1157 (284376 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 31, first atom 1123 (126676 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 32, first atom 422 (141268 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1401 (665854 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 1159 (111022 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1401 (225706 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1394 (427097 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1299 (122646 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1193 (105694 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1303 (116097 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1185 (108436 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1177 (161279 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 428 (189335 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 44, first atom 428 (114919 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1402 (266943 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1182 (113038 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 47, first atom 1394 (277098 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1156 (105846 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1182 (1807633 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 50, first atom 1182 (327779 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1401 (112986 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1182 (180080 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1198 (139411 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1182 (2111580 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1182 (2078340 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 56, first atom 1163 (150969 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 57, first atom 1182 (268722 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1183 (102882 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 59, first atom 1173 (452932 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1173 (199943 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1183 (254357 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 62, first atom 1183 (307646 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1184 (110156 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1173 (103170 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1399 (182542 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1399 (228404 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1401 (111690 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1401 (102685 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1401 (265706 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1401 (143321 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1183 (116243 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1401 (107519 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 79, first atom 1172 (116565 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1400 (137481 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1400 (118927 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1399 (251639 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 92, first atom 1182 (330475 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1472 (114787 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1504 (118398 -> 100000)
+Warn: 221 atom(s) hit accel clamp on step 2, first atom 0 (304579 -> 100000)
+Warn: 92 atom(s) hit accel clamp on step 3, first atom 146 (141194 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 4, first atom 54 (174718 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 5, first atom 146 (220355 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 6, first atom 161 (443945 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 7, first atom 161 (129233 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 8, first atom 1027 (118890 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 9, first atom 1026 (370912 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 10, first atom 309 (177902 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 11, first atom 427 (110285 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 12, first atom 1027 (108090 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 13, first atom 317 (147083 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 14, first atom 432 (221839 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 15, first atom 432 (237718 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 16, first atom 1077 (275770 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 17, first atom 430 (108904 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 18, first atom 1074 (116436 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 19, first atom 432 (178031 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 20, first atom 1168 (110209 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 21, first atom 425 (134446 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 22, first atom 432 (154396 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 23, first atom 1075 (109620 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 24, first atom 424 (110168 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 25, first atom 1082 (124657 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1298 (187612 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 27, first atom 1070 (172463 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 28, first atom 1151 (133884 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1066 (121205 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 30, first atom 1085 (249004 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 31, first atom 1156 (110227 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 32, first atom 1032 (164431 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 33, first atom 1169 (111954 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 34, first atom 1179 (168437 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1067 (103999 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1156 (163041 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 37, first atom 1068 (192534 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1068 (106888 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1172 (148960 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1153 (115245 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 41, first atom 1071 (219367 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 42, first atom 1071 (280395 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 43, first atom 1071 (114623 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 44, first atom 994 (138499 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 45, first atom 1151 (104775 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1400 (1281637 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 47, first atom 1177 (175917 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1087 (201138 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 49, first atom 431 (115046 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1396 (116880 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 51, first atom 1151 (135180 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1078 (132810 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1400 (102328 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1299 (105003 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 55, first atom 1160 (116218 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1400 (156192 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1393 (107118 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1405 (132271 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1404 (111353 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1186 (143247 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1396 (137434 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1402 (183026 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1396 (210409 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1160 (109714 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1396 (163681 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1396 (102609 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1397 (191938 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1397 (130714 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1903 (124407 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1899 (107964 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1401 (406812 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1903 (104328 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.42 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6017 / 6079 solvent mols in 358 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42002 ms
+Warn: 22 atom(s) hit accel clamp on step 0, first atom 1065 (311336 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1065 (174921 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1079 (123238 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1375 (188203 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1079 (123475 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.00 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5902 / 6032 solvent mols in 375 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41198 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.00 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5902 / 6032 solvent mols in 350 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41321 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1500 (120532 -> 100000)
+Warn: 219 atom(s) hit accel clamp on step 1, first atom 0 (304611 -> 100000)
+Warn: 91 atom(s) hit accel clamp on step 2, first atom 146 (117359 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 3, first atom 54 (174396 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 4, first atom 146 (220720 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 5, first atom 161 (443979 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 6, first atom 161 (148186 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 7, first atom 432 (137814 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 8, first atom 1023 (108116 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 9, first atom 309 (158439 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 10, first atom 427 (113902 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 11, first atom 1023 (586635 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 12, first atom 310 (192271 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 13, first atom 441 (118854 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 14, first atom 426 (158028 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 15, first atom 1061 (125030 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 16, first atom 432 (166331 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 17, first atom 432 (120725 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 18, first atom 1069 (165351 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1027 (108419 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 20, first atom 425 (176684 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 21, first atom 310 (173670 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 22, first atom 1080 (105275 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 23, first atom 1060 (258693 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 24, first atom 1060 (337543 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 25, first atom 427 (100254 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 1060 (391932 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 27, first atom 1060 (272589 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 28, first atom 1069 (141077 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 29, first atom 1060 (205439 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 30, first atom 1148 (111821 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 31, first atom 1069 (104695 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 32, first atom 425 (157642 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 33, first atom 425 (166614 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1161 (104951 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 35, first atom 1061 (189710 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1383 (155385 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 37, first atom 424 (215970 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 38, first atom 1032 (111983 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1395 (128625 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 40, first atom 1060 (157821 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 41, first atom 427 (162096 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 42, first atom 425 (124056 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1385 (135073 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 427 (125698 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 45, first atom 427 (139580 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 46, first atom 427 (105777 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1073 (110343 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1385 (258351 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 424 (172222 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 50, first atom 1076 (100445 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 51, first atom 427 (114792 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1389 (671560 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 53, first atom 1076 (152554 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1183 (129067 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1080 (101046 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1386 (118183 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1384 (134250 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 59, first atom 427 (178834 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1384 (104069 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1389 (169723 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 62, first atom 428 (102825 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1390 (491762 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1392 (158862 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 68, first atom 1384 (186420 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1385 (120193 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1392 (161751 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 73, first atom 1384 (157404 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 74, first atom 432 (130970 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 75, first atom 1384 (815518 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 76, first atom 424 (153792 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1389 (161335 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 78, first atom 1384 (123267 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 79, first atom 430 (122684 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 80, first atom 429 (139771 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1391 (1463862 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 82, first atom 1389 (296234 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1389 (130041 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1392 (209531 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1391 (227510 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1387 (172203 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 92, first atom 1386 (329945 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1389 (115921 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1386 (299684 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 98, first atom 1384 (114675 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1386 (147955 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 100, first atom 1391 (115219 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 101, first atom 1391 (119383 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 103, first atom 1384 (178921 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 105, first atom 1377 (183812 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 126, first atom 1390 (163609 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 133, first atom 1385 (214818 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 140, first atom 1386 (137596 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 141, first atom 1386 (103306 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 144, first atom 1389 (119563 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1084 (318295 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1084 (143354 -> 100000)
+Warn: 215 atom(s) hit accel clamp on step 12, first atom 0 (304112 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 13, first atom 1 (184314 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 14, first atom 34 (175973 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 15, first atom 135 (160460 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 16, first atom 135 (113743 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 17, first atom 1023 (196164 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 18, first atom 441 (167945 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 19, first atom 299 (113599 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 20, first atom 1023 (135237 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 21, first atom 1023 (152955 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 22, first atom 1025 (100023 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 23, first atom 1064 (230764 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 24, first atom 601 (158358 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 25, first atom 160 (165796 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 26, first atom 1026 (117458 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 27, first atom 432 (160878 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 28, first atom 1033 (117207 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 29, first atom 426 (105728 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 30, first atom 1084 (170518 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 31, first atom 1066 (105184 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 32, first atom 1027 (144638 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 33, first atom 1026 (113131 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 34, first atom 1063 (293714 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 35, first atom 1172 (336536 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 36, first atom 1062 (139701 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 37, first atom 1174 (146684 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 38, first atom 1061 (102574 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 39, first atom 1177 (107322 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 1061 (123080 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 41, first atom 1147 (103609 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 42, first atom 1055 (123342 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 43, first atom 1150 (111977 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 44, first atom 1148 (219092 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 45, first atom 1148 (117656 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 46, first atom 1196 (128726 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 47, first atom 1196 (132858 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 48, first atom 1038 (147500 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1033 (135551 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1387 (324004 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 51, first atom 1292 (113572 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 52, first atom 1145 (132844 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 53, first atom 1292 (116625 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1378 (223887 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1036 (125424 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 57, first atom 1036 (133379 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1284 (217454 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 59, first atom 1277 (133094 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1178 (182818 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1393 (156133 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1379 (111187 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1393 (251697 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1386 (148284 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1276 (103196 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 68, first atom 1062 (118381 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1063 (222719 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1394 (132192 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1276 (103531 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1276 (122384 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1530 (128027 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 84, first atom 1287 (148052 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 86, first atom 1162 (167598 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.47 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6018 / 6081 solvent mols in 381 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42866 ms
+Warn: 30 atom(s) hit accel clamp on step 0, first atom 1024 (121085 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1068 (208095 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1068 (100256 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1378 (266845 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1378 (142131 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1378 (200257 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.06 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5903 / 6034 solvent mols in 352 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40293 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.06 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5903 / 6034 solvent mols in 418 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41370 ms
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1716 (159932 -> 100000)
+Warn: 202 atom(s) hit accel clamp on step 3, first atom 0 (304899 -> 100000)
+Warn: 87 atom(s) hit accel clamp on step 4, first atom 146 (164672 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 5, first atom 34 (177422 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 6, first atom 146 (247958 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 7, first atom 161 (474654 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 8, first atom 161 (134215 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 9, first atom 441 (102468 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 10, first atom 1026 (129891 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 11, first atom 309 (175502 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 12, first atom 424 (136183 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 13, first atom 421 (140744 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 14, first atom 317 (104990 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 15, first atom 1029 (399846 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 16, first atom 426 (129624 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 17, first atom 1071 (120611 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 18, first atom 432 (206524 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 19, first atom 432 (123686 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 20, first atom 1091 (121742 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 21, first atom 1088 (263051 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 22, first atom 1064 (350133 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 23, first atom 337 (145667 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 24, first atom 339 (144790 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 25, first atom 1064 (125948 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 26, first atom 1065 (111832 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 27, first atom 1081 (105128 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 28, first atom 1064 (124970 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 29, first atom 1065 (106323 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 30, first atom 1070 (103716 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 31, first atom 1152 (341668 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 32, first atom 1061 (181792 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 33, first atom 1061 (103741 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 34, first atom 1061 (124797 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 35, first atom 1166 (111465 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 36, first atom 1291 (661362 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1292 (126030 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 38, first atom 1064 (116466 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 39, first atom 1064 (209591 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 40, first atom 419 (151902 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 41, first atom 1058 (140628 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 42, first atom 1075 (177457 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 43, first atom 425 (177013 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 44, first atom 25 (129828 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 45, first atom 1050 (273593 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 46, first atom 1080 (101444 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 47, first atom 177 (107930 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 48, first atom 1049 (469770 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 49, first atom 1030 (170898 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 50, first atom 962 (200362 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 51, first atom 151 (211249 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 52, first atom 1051 (275626 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 53, first atom 1191 (113798 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 54, first atom 1179 (111650 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 55, first atom 1165 (111548 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 56, first atom 310 (108978 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 57, first atom 727 (297059 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 58, first atom 1081 (110728 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 59, first atom 431 (121936 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 60, first atom 1076 (171430 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 61, first atom 56 (175451 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 62, first atom 953 (204260 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 63, first atom 1047 (640228 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 64, first atom 1050 (140240 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 65, first atom 1187 (112061 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 66, first atom 1064 (156624 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 67, first atom 1048 (136682 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 68, first atom 1080 (182983 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 69, first atom 1064 (153314 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 70, first atom 1320 (100473 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 71, first atom 1166 (140100 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 72, first atom 1078 (175473 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 73, first atom 1084 (161388 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 74, first atom 1084 (152314 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 75, first atom 1084 (135006 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 76, first atom 1084 (255943 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 77, first atom 1049 (111147 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 78, first atom 428 (109500 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 79, first atom 1084 (195225 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 80, first atom 1075 (235044 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 81, first atom 1075 (174001 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 82, first atom 1084 (128805 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 83, first atom 1045 (101104 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 84, first atom 1388 (131053 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1805 (201973 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 86, first atom 1075 (310280 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 87, first atom 1047 (102133 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 88, first atom 1076 (100119 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 89, first atom 1045 (582785 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1813 (110955 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 91, first atom 1269 (103393 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1403 (112587 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 93, first atom 1382 (182974 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 94, first atom 1189 (108877 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1520 (151389 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 96, first atom 1275 (115036 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 97, first atom 16 (123245 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 98, first atom 605 (219889 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 99, first atom 1274 (249772 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 100, first atom 1199 (111006 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 101, first atom 1313 (139015 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 102, first atom 1395 (158010 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 103, first atom 1199 (103772 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 104, first atom 1324 (126715 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 105, first atom 1504 (476758 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 107, first atom 1285 (234408 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 110, first atom 1505 (171836 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 111, first atom 1505 (125819 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 112, first atom 1892 (156143 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 115, first atom 1273 (105645 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 117, first atom 1504 (122608 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 119, first atom 555 (346449 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 120, first atom 1381 (640323 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 121, first atom 811 (347007 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 122, first atom 1316 (112860 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 123, first atom 1132 (267240 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 124, first atom 1132 (1388430 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 125, first atom 1132 (336290 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 126, first atom 102 (129662 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 127, first atom 802 (340919 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 128, first atom 1486 (171335 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 129, first atom 1144 (166927 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 130, first atom 1439 (220185 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 131, first atom 1395 (405476 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 132, first atom 625 (264474 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 133, first atom 265 (104984 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 134, first atom 1257 (308940 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 135, first atom 824 (125716 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 136, first atom 1044 (485391 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 137, first atom 1044 (4154825 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 138, first atom 720 (145213 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 139, first atom 1001 (261951 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 140, first atom 1063 (216265 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 141, first atom 1256 (1041516 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 142, first atom 181 (344635 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 143, first atom 1132 (182652 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 144, first atom 1040 (110053 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 145, first atom 157 (127702 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 146, first atom 1132 (158980 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 147, first atom 1132 (163949 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 148, first atom 1132 (135567 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 149, first atom 975 (102699 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 150, first atom 1407 (197206 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 151, first atom 1407 (258923 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 152, first atom 1407 (123997 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 153, first atom 1057 (189674 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 154, first atom 887 (114278 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 155, first atom 885 (107420 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 156, first atom 1049 (120328 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 157, first atom 1057 (290113 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 158, first atom 1110 (216226 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 159, first atom 1110 (192242 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 160, first atom 869 (168498 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 161, first atom 1057 (547611 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 162, first atom 754 (102605 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 163, first atom 1111 (870873 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 164, first atom 1111 (240313 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 165, first atom 1110 (250996 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 166, first atom 1110 (110309 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 167, first atom 1371 (193460 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 168, first atom 1257 (196505 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 169, first atom 1261 (100303 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 170, first atom 1257 (212568 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 171, first atom 1184 (110060 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 172, first atom 1257 (109562 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 173, first atom 1052 (154479 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 174, first atom 1052 (253867 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 175, first atom 580 (143313 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 176, first atom 1052 (159918 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 177, first atom 580 (116580 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 178, first atom 1123 (4159907 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 179, first atom 0 (137205 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 180, first atom 336 (144904 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 181, first atom 1026 (281553 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 182, first atom 193 (343893 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 183, first atom 499 (349478 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 184, first atom 296 (117938 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 185, first atom 277 (124332 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 186, first atom 1027 (254203 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 187, first atom 1024 (351197 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 188, first atom 170 (105799 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 189, first atom 1103 (163590 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 190, first atom 534 (118902 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 191, first atom 113 (105799 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 192, first atom 111 (150166 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 193, first atom 320 (107091 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 194, first atom 422 (122399 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 195, first atom 113 (266029 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 196, first atom 552 (101325 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 197, first atom 76 (230549 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 198, first atom 455 (212190 -> 100000)
+Warn: 84 atom(s) hit accel clamp on step 199, first atom 325 (141056 -> 100000)
+Warn: 88 atom(s) hit accel clamp on step 200, first atom 114 (158522 -> 100000)
+Warn: 107 atom(s) hit accel clamp on step 201, first atom 96 (341998 -> 100000)
+Warn: 99 atom(s) hit accel clamp on step 202, first atom 98 (352825 -> 100000)
+Warn: 120 atom(s) hit accel clamp on step 203, first atom 250 (120181 -> 100000)
+Warn: 129 atom(s) hit accel clamp on step 204, first atom 107 (105850 -> 100000)
+Warn: 124 atom(s) hit accel clamp on step 205, first atom 174 (123625 -> 100000)
+Warn: 134 atom(s) hit accel clamp on step 206, first atom 68 (264670 -> 100000)
+Warn: 148 atom(s) hit accel clamp on step 207, first atom 287 (231362 -> 100000)
+Warn: 167 atom(s) hit accel clamp on step 208, first atom 91 (139989 -> 100000)
+Warn: 178 atom(s) hit accel clamp on step 209, first atom 96 (323202 -> 100000)
+Warn: 182 atom(s) hit accel clamp on step 210, first atom 0 (144826 -> 100000)
+Warn: 220 atom(s) hit accel clamp on step 211, first atom 40 (121928 -> 100000)
+Warn: 230 atom(s) hit accel clamp on step 212, first atom 6 (130198 -> 100000)
+Warn: 217 atom(s) hit accel clamp on step 213, first atom 147 (162610 -> 100000)
+Warn: 261 atom(s) hit accel clamp on step 214, first atom 3 (261084 -> 100000)
+Warn: 244 atom(s) hit accel clamp on step 215, first atom 113 (110329 -> 100000)
+Warn: 306 atom(s) hit accel clamp on step 216, first atom 3 (246758 -> 100000)
+Warn: 348 atom(s) hit accel clamp on step 217, first atom 41 (134546 -> 100000)
+Warn: 327 atom(s) hit accel clamp on step 218, first atom 5 (116397 -> 100000)
+Warn: 330 atom(s) hit accel clamp on step 219, first atom 3 (100434 -> 100000)
+Warn: 388 atom(s) hit accel clamp on step 220, first atom 0 (303680 -> 100000)
+Warn: 427 atom(s) hit accel clamp on step 221, first atom 27 (118385 -> 100000)
+Warn: 444 atom(s) hit accel clamp on step 222, first atom 38 (104511 -> 100000)
+Warn: 480 atom(s) hit accel clamp on step 223, first atom 19 (167006 -> 100000)
+Warn: 518 atom(s) hit accel clamp on step 224, first atom 19 (199687 -> 100000)
+Warn: 570 atom(s) hit accel clamp on step 225, first atom 7 (112399 -> 100000)
+Warn: 635 atom(s) hit accel clamp on step 226, first atom 27 (159987 -> 100000)
+Warn: 633 atom(s) hit accel clamp on step 227, first atom 13 (104289 -> 100000)
+Warn: 715 atom(s) hit accel clamp on step 228, first atom 13 (347560 -> 100000)
+Warn: 718 atom(s) hit accel clamp on step 229, first atom 10 (160039 -> 100000)
+Warn: 741 atom(s) hit accel clamp on step 230, first atom 6 (122018 -> 100000)
+Warn: 790 atom(s) hit accel clamp on step 231, first atom 3 (169530 -> 100000)
+Warn: 813 atom(s) hit accel clamp on step 232, first atom 5 (187472 -> 100000)
+Warn: 898 atom(s) hit accel clamp on step 233, first atom 1 (201730 -> 100000)
+Warn: 956 atom(s) hit accel clamp on step 234, first atom 0 (567787 -> 100000)
+Warn: 957 atom(s) hit accel clamp on step 235, first atom 7 (348488 -> 100000)
+Warn: 1019 atom(s) hit accel clamp on step 236, first atom 2 (197129 -> 100000)
+Warn: 1072 atom(s) hit accel clamp on step 237, first atom 1 (137222 -> 100000)
+Warn: 1109 atom(s) hit accel clamp on step 238, first atom 3 (294432 -> 100000)
+Warn: 1130 atom(s) hit accel clamp on step 239, first atom 1 (444978 -> 100000)
+Warn: 1178 atom(s) hit accel clamp on step 240, first atom 3 (343525 -> 100000)
+Warn: 1226 atom(s) hit accel clamp on step 241, first atom 2 (103015 -> 100000)
+Warn: 1277 atom(s) hit accel clamp on step 242, first atom 0 (303311 -> 100000)
+Warn: 1285 atom(s) hit accel clamp on step 243, first atom 2 (455879 -> 100000)
+Warn: 1310 atom(s) hit accel clamp on step 244, first atom 1 (333218 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1716 (119441 -> 100000)
+Warn: 210 atom(s) hit accel clamp on step 1, first atom 0 (304627 -> 100000)
+Warn: 88 atom(s) hit accel clamp on step 2, first atom 146 (117664 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 3, first atom 54 (174319 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 4, first atom 146 (224660 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 5, first atom 161 (454988 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 6, first atom 161 (153104 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 7, first atom 1028 (185872 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 8, first atom 1028 (315317 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 9, first atom 309 (160682 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 10, first atom 424 (145409 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 11, first atom 1030 (130896 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 12, first atom 310 (166056 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 13, first atom 432 (128130 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 14, first atom 426 (101021 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 15, first atom 1066 (479941 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 16, first atom 432 (106017 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 17, first atom 1030 (122928 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 18, first atom 1065 (123173 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1064 (100263 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 20, first atom 1071 (100940 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 21, first atom 1065 (234007 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 22, first atom 430 (766875 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 23, first atom 1081 (333086 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 24, first atom 1081 (322912 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 25, first atom 424 (252306 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 26, first atom 424 (164752 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1165 (107902 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 28, first atom 316 (188156 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 29, first atom 160 (113680 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 30, first atom 1065 (203527 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 31, first atom 1184 (149015 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 32, first atom 1084 (161991 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 33, first atom 1152 (116865 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1333 (173853 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 35, first atom 424 (100435 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 36, first atom 424 (191185 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 37, first atom 424 (203600 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 38, first atom 1182 (105651 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1338 (116218 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 40, first atom 1065 (106805 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 41, first atom 1057 (107249 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 42, first atom 1269 (194827 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 43, first atom 1057 (112254 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 44, first atom 312 (104175 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 45, first atom 312 (151567 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 46, first atom 309 (118886 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 47, first atom 312 (407298 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 48, first atom 312 (191561 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1350 (100148 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 50, first atom 1030 (120534 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 51, first atom 375 (153632 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 52, first atom 1084 (118562 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 53, first atom 1254 (112307 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 54, first atom 1065 (168552 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 55, first atom 1176 (107180 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 56, first atom 424 (178285 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1387 (298069 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1351 (179261 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 59, first atom 1349 (575186 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1349 (156184 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1388 (128106 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1388 (135913 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1331 (106721 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 65, first atom 1067 (120443 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1067 (119448 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1390 (107569 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 68, first atom 1388 (144961 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 69, first atom 1179 (100532 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1293 (102129 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1291 (177397 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1391 (232658 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1350 (607682 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 74, first atom 1293 (111013 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1392 (175817 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 76, first atom 1388 (109308 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 78, first atom 1293 (125149 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 79, first atom 1349 (124048 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1388 (107791 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1395 (156435 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1388 (157641 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 85, first atom 1348 (117677 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1388 (106677 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 90, first atom 1392 (105949 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1388 (131336 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1390 (127345 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1361 (100010 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1291 (121780 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1291 (106341 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 118, first atom 1391 (173629 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 119, first atom 1391 (241404 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 120, first atom 1391 (108265 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1171 (110859 -> 100000)
+Warn: 218 atom(s) hit accel clamp on step 1, first atom 0 (304652 -> 100000)
+Warn: 91 atom(s) hit accel clamp on step 2, first atom 146 (122785 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 3, first atom 54 (174650 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 4, first atom 146 (211265 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 5, first atom 161 (442249 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 6, first atom 45 (120488 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 7, first atom 1024 (112234 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 8, first atom 1024 (261958 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 9, first atom 309 (133172 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 10, first atom 312 (119506 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 11, first atom 1022 (128340 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 12, first atom 310 (120923 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 13, first atom 432 (118239 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 14, first atom 426 (136865 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 15, first atom 166 (238850 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 16, first atom 432 (107010 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 17, first atom 1023 (118298 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 18, first atom 155 (195407 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 19, first atom 1055 (233828 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 20, first atom 1060 (371679 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 21, first atom 1060 (148430 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 22, first atom 1069 (117522 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 23, first atom 1065 (163396 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 24, first atom 1064 (160725 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 25, first atom 1148 (106655 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 26, first atom 1137 (284834 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 27, first atom 1026 (116524 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 28, first atom 1149 (178696 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 29, first atom 1026 (836358 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 30, first atom 165 (101091 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 31, first atom 1147 (118495 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 32, first atom 166 (142917 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 33, first atom 1054 (114949 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1178 (191591 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1161 (159333 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1080 (187531 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 37, first atom 1080 (202695 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1075 (111454 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 39, first atom 1080 (214251 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 40, first atom 1080 (420096 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 41, first atom 1080 (109861 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 1080 (202361 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1060 (144234 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1170 (111571 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 45, first atom 1069 (114172 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1161 (110544 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1391 (100107 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1170 (167688 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1161 (132711 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 50, first atom 1175 (136043 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1080 (124038 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 52, first atom 1152 (112274 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1152 (286060 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1152 (181315 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1162 (427580 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1389 (142221 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1389 (164891 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1389 (119258 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1171 (117651 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1174 (115368 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1411 (120372 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 66, first atom 1069 (151460 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1170 (132470 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1170 (128895 -> 100000)
+Warn: 239 atom(s) hit accel clamp on step 12, first atom 0 (303915 -> 100000)
+Warn: 105 atom(s) hit accel clamp on step 13, first atom 1 (348465 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 14, first atom 34 (176359 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 15, first atom 34 (144307 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 16, first atom 135 (180643 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 17, first atom 34 (106888 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 18, first atom 298 (108529 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 19, first atom 299 (162127 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 20, first atom 309 (118809 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 21, first atom 1025 (191730 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 22, first atom 1028 (127381 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 23, first atom 1056 (326512 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 24, first atom 432 (199947 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 25, first atom 1039 (114417 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 26, first atom 1028 (233265 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 27, first atom 1028 (108895 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 28, first atom 1028 (134564 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 29, first atom 1063 (114534 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 30, first atom 317 (177860 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 31, first atom 432 (108626 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 32, first atom 1056 (139382 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 33, first atom 1063 (473486 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 34, first atom 1070 (128295 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 35, first atom 1109 (115267 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 36, first atom 1035 (261905 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 37, first atom 1035 (156854 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1063 (114165 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1191 (164095 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 40, first atom 1057 (130277 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1174 (147358 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 1179 (102871 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 43, first atom 1057 (115888 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 44, first atom 1028 (105377 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1056 (144394 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1065 (679917 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 47, first atom 1035 (102792 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 48, first atom 1035 (230078 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 49, first atom 1035 (187604 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 50, first atom 1052 (121907 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1035 (142503 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 52, first atom 1037 (207681 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1155 (122535 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1037 (111296 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1393 (100884 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1156 (104523 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 58, first atom 1181 (100577 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 59, first atom 1165 (115086 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1288 (102906 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1155 (125136 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1331 (317940 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 63, first atom 1173 (126969 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1063 (128657 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1155 (205197 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1166 (120186 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 69, first atom 1083 (107969 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 71, first atom 1057 (185721 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1072 (108231 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1083 (109174 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 86, first atom 1279 (133219 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1401 (109987 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 96, first atom 1073 (192235 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.47 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6017 / 6081 solvent mols in 401 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42116 ms
+Warn: 33 atom(s) hit accel clamp on step 0, first atom 1028 (163013 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1072 (188131 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1382 (283705 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1382 (116301 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1382 (158477 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.38 Cell vol: 207.09 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.92 Å
+Added 6022 / 6078 solvent mols in 360 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43184 ms
+Initializing solvent molecules...
+Solvent-free vol: 182.38 Cell vol: 207.09 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.92 Å
+Added 6022 / 6078 solvent mols in 367 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41697 ms
+Warn: 13 atom(s) hit accel clamp on step 0, first atom 1032 (303567 -> 100000)
+Warn: 229 atom(s) hit accel clamp on step 1, first atom 0 (301478 -> 100000)
+Warn: 88 atom(s) hit accel clamp on step 2, first atom 307 (275255 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 3, first atom 316 (135307 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 4, first atom 960 (127604 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 5, first atom 307 (275481 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 6, first atom 307 (277230 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 7, first atom 157 (186757 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 8, first atom 1070 (112905 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 9, first atom 309 (108489 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 10, first atom 427 (114087 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 11, first atom 1070 (197479 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 12, first atom 310 (147970 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 13, first atom 432 (181095 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 14, first atom 426 (143858 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 15, first atom 1085 (185559 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 16, first atom 432 (198378 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 17, first atom 1070 (138328 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 18, first atom 1089 (115162 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 19, first atom 1041 (128271 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 20, first atom 432 (218717 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 21, first atom 1155 (273684 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 22, first atom 146 (105838 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 23, first atom 1070 (107304 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 24, first atom 1070 (100759 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 25, first atom 1041 (114193 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 1153 (145778 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1302 (232114 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1179 (105954 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 29, first atom 1146 (131318 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 30, first atom 1297 (101802 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 31, first atom 1179 (193054 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 32, first atom 1164 (159180 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1405 (124817 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 1179 (195674 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 35, first atom 1400 (536208 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1180 (302103 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 427 (178367 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1405 (114292 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 39, first atom 1171 (107946 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1297 (141090 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1398 (406785 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1297 (105637 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 43, first atom 1396 (107260 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1402 (109531 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 45, first atom 1401 (100559 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1096 (133605 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1303 (118856 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1096 (107106 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1085 (113521 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1403 (102532 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1399 (110604 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1297 (123279 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1401 (100642 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 54, first atom 1401 (254663 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1410 (176784 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1404 (154302 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1400 (103661 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1404 (128116 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1409 (102938 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1508 (108543 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1408 (156259 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1398 (104899 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1402 (106742 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1399 (104389 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1402 (115636 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 89, first atom 1404 (117531 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 104, first atom 1400 (117049 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1028 (248276 -> 100000)
+Warn: 254 atom(s) hit accel clamp on step 1, first atom 1 (292895 -> 100000)
+Warn: 101 atom(s) hit accel clamp on step 2, first atom 146 (119066 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 3, first atom 54 (174431 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 4, first atom 146 (225507 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 5, first atom 161 (443533 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 6, first atom 161 (119388 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 7, first atom 432 (128692 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 8, first atom 1068 (2085520 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 9, first atom 309 (161943 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 10, first atom 427 (110770 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 11, first atom 1066 (495086 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 12, first atom 310 (169021 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 13, first atom 432 (203047 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 14, first atom 426 (130963 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 15, first atom 1066 (470619 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 16, first atom 432 (202655 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 17, first atom 421 (133488 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 18, first atom 1067 (2094596 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 19, first atom 1066 (326675 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 20, first atom 432 (198905 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 21, first atom 1150 (131320 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 22, first atom 1079 (153437 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 23, first atom 1080 (293869 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 24, first atom 50 (102553 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 1066 (136585 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 26, first atom 1066 (128757 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 27, first atom 1067 (120663 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 28, first atom 1066 (245313 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 29, first atom 1066 (228465 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 30, first atom 1155 (180665 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 31, first atom 1066 (146638 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 32, first atom 45 (117682 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 33, first atom 1075 (104471 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 34, first atom 1066 (202749 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 35, first atom 1068 (955168 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 36, first atom 1075 (176006 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1066 (127317 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 38, first atom 1066 (102536 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 39, first atom 1151 (509585 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 40, first atom 1066 (153820 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 41, first atom 425 (111143 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1067 (556556 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 43, first atom 1075 (157891 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 44, first atom 1067 (216206 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 45, first atom 1075 (252808 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 46, first atom 1075 (293704 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1075 (126889 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1440 (105447 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1168 (406623 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1401 (116663 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 51, first atom 1168 (104809 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1168 (100319 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1402 (214353 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 54, first atom 1075 (173737 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 55, first atom 1068 (399978 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1783 (113564 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1066 (106606 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1401 (204437 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1402 (103859 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 60, first atom 1168 (160177 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1783 (153062 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1783 (180226 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1402 (140836 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1398 (191529 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1395 (255286 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 79, first atom 1395 (307925 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1395 (113995 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1076 (115465 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1076 (141886 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1076 (127034 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1076 (108840 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1079 (112994 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1395 (110291 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 1063 (116038 -> 100000)
+Warn: 215 atom(s) hit accel clamp on step 1, first atom 0 (304508 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 2, first atom 307 (275081 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 3, first atom 316 (143854 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 4, first atom 1038 (556911 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 5, first atom 146 (194872 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 6, first atom 161 (139619 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 7, first atom 432 (125662 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 8, first atom 1038 (1059804 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 9, first atom 309 (142327 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 10, first atom 312 (103548 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 11, first atom 1039 (236623 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 12, first atom 310 (138696 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 13, first atom 432 (112950 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 14, first atom 426 (133034 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 15, first atom 1165 (103053 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 16, first atom 157 (126706 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 17, first atom 1042 (187542 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 18, first atom 1123 (109551 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 19, first atom 1041 (267534 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 20, first atom 1100 (104831 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 21, first atom 1090 (249437 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 22, first atom 1083 (108819 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 1090 (104023 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 1154 (110452 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 25, first atom 1163 (252580 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 26, first atom 1090 (104162 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 27, first atom 1154 (107227 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 28, first atom 1088 (109924 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1078 (102232 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 30, first atom 1088 (103587 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1154 (128339 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 162 (122431 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 33, first atom 1166 (107827 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 1166 (159012 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1171 (123574 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1190 (103425 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1407 (178113 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 38, first atom 1188 (972174 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1188 (939599 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 1191 (103595 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 41, first atom 1087 (117648 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 42, first atom 1179 (188928 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 43, first atom 425 (112189 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1090 (153620 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 45, first atom 1041 (117383 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1191 (502293 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1185 (144931 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1411 (1431555 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1191 (101508 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 50, first atom 1296 (130557 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 51, first atom 1190 (427507 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 52, first atom 1190 (181876 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 53, first atom 1408 (367686 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1408 (284487 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1190 (101608 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 56, first atom 1408 (136587 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1188 (324483 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1188 (129909 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1162 (169462 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1408 (190486 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1196 (100595 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1719 (146095 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1196 (247488 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1196 (101363 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1420 (112895 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 70, first atom 1196 (148636 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1189 (105684 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1188 (198302 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1188 (110242 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1407 (120687 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 78, first atom 1195 (151668 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1412 (373876 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1413 (115005 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 82, first atom 1408 (325298 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1408 (208559 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 88, first atom 1179 (103955 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1181 (103451 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 93, first atom 1181 (244884 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 95, first atom 1413 (608827 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 98, first atom 1421 (105028 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 101, first atom 1421 (128662 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1028 (213599 -> 100000)
+Warn: 255 atom(s) hit accel clamp on step 1, first atom 1 (284444 -> 100000)
+Warn: 103 atom(s) hit accel clamp on step 2, first atom 146 (117502 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 3, first atom 54 (174425 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 4, first atom 146 (214031 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 5, first atom 161 (440057 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 6, first atom 161 (163032 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 7, first atom 432 (122310 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 8, first atom 1068 (1246050 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 9, first atom 309 (128830 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 10, first atom 312 (116419 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 11, first atom 881 (123322 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 12, first atom 310 (155668 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 13, first atom 432 (119707 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 14, first atom 426 (143430 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 15, first atom 1066 (1016156 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 16, first atom 432 (198650 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 17, first atom 1031 (131261 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 18, first atom 1066 (256832 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 19, first atom 1075 (251846 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 20, first atom 432 (114424 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 21, first atom 1066 (285407 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 22, first atom 1067 (120329 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 23, first atom 1067 (111955 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 24, first atom 1185 (146781 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 25, first atom 1075 (336223 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 26, first atom 1067 (343268 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 27, first atom 1068 (108313 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 28, first atom 1066 (229976 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 29, first atom 1066 (313674 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 30, first atom 1154 (151372 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1066 (209032 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 32, first atom 1176 (110667 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 33, first atom 430 (185621 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 34, first atom 1169 (197856 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 35, first atom 1066 (213388 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1155 (105255 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1066 (157188 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 38, first atom 1066 (101918 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1076 (171299 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 40, first atom 1076 (233431 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 41, first atom 428 (116729 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 425 (162922 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 43, first atom 1159 (119322 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 44, first atom 1078 (110154 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 45, first atom 1168 (101080 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 46, first atom 1076 (309718 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 47, first atom 1176 (252014 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1082 (159515 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 49, first atom 1170 (107072 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1076 (106922 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1396 (103768 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1168 (205865 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1783 (117678 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1397 (128799 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1397 (144691 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1395 (105188 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1766 (100066 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1170 (221471 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1300 (106552 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1183 (246731 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1076 (235056 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1399 (103165 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 94, first atom 1066 (120665 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.60 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6020 / 6086 solvent mols in 368 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42458 ms
+Warn: 27 atom(s) hit accel clamp on step 0, first atom 1072 (182432 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 1, first atom 1426 (143847 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1668 (121209 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1386 (193868 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1386 (152846 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.18 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5908 / 6038 solvent mols in 356 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42226 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.18 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5908 / 6038 solvent mols in 357 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40995 ms
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1474 (171863 -> 100000)
+Warn: 228 atom(s) hit accel clamp on step 1, first atom 0 (304803 -> 100000)
+Warn: 94 atom(s) hit accel clamp on step 2, first atom 146 (116686 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 3, first atom 47 (169053 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 4, first atom 47 (154852 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 5, first atom 161 (476448 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 6, first atom 34 (157526 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 7, first atom 1034 (219292 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 8, first atom 1034 (139472 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 9, first atom 134 (161988 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 10, first atom 312 (103551 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 11, first atom 37 (119875 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 12, first atom 310 (173391 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 13, first atom 1036 (206978 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 14, first atom 426 (158529 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 15, first atom 1071 (224250 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 16, first atom 317 (106733 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 17, first atom 1060 (126722 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 18, first atom 1060 (107291 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 19, first atom 425 (134757 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 20, first atom 1060 (142320 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 21, first atom 162 (118846 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 22, first atom 1072 (725193 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 23, first atom 1078 (142163 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 24, first atom 1073 (106308 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 25, first atom 1064 (884588 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 26, first atom 1064 (430240 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 27, first atom 1071 (147147 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 28, first atom 1064 (120541 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 29, first atom 1064 (103097 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 30, first atom 1071 (121820 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 31, first atom 34 (119905 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 32, first atom 1037 (237867 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 33, first atom 1070 (229777 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 34, first atom 1064 (120401 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 35, first atom 1064 (188880 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 36, first atom 1070 (157380 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 37, first atom 427 (109969 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 38, first atom 1064 (588057 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 39, first atom 1071 (129762 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 40, first atom 1064 (125138 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 41, first atom 1064 (356547 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1064 (151352 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 43, first atom 1064 (278574 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1064 (342770 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 45, first atom 1065 (106264 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1064 (174362 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1064 (164932 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1070 (245836 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 49, first atom 1070 (820655 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1070 (176031 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 51, first atom 1067 (155127 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1070 (452491 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1071 (103665 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 54, first atom 1071 (329122 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1079 (164905 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1399 (149720 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 57, first atom 1070 (168575 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1070 (107833 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1075 (185122 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1065 (100535 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1080 (1254188 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 63, first atom 1080 (190538 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1080 (532660 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1080 (134137 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1090 (267636 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1157 (106414 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 68, first atom 1080 (100945 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1079 (190672 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1079 (117777 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1163 (132479 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1071 (182029 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1079 (102160 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1065 (105911 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1065 (118162 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1394 (106550 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 100, first atom 1079 (113734 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 0, first atom 1064 (319807 -> 100000)
+Warn: 209 atom(s) hit accel clamp on step 1, first atom 0 (304675 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 2, first atom 307 (275276 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 3, first atom 54 (116175 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 4, first atom 1032 (291191 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 5, first atom 146 (201779 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 6, first atom 161 (140943 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 7, first atom 1033 (248269 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 8, first atom 1033 (242303 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 9, first atom 309 (118759 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 10, first atom 427 (103160 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 11, first atom 1073 (213093 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 12, first atom 310 (165218 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 13, first atom 1084 (392623 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 14, first atom 426 (158531 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 15, first atom 1035 (234641 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 16, first atom 1035 (541549 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 17, first atom 1069 (112437 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1069 (103461 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 19, first atom 1070 (126857 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 20, first atom 1290 (332401 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 21, first atom 1158 (774484 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 22, first atom 1153 (120367 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 23, first atom 1074 (108509 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1156 (135341 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 25, first atom 1146 (139489 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 26, first atom 1146 (121756 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 27, first atom 1146 (197124 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 28, first atom 1146 (109876 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 29, first atom 1115 (104713 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 30, first atom 1214 (238208 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 31, first atom 1038 (128896 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 32, first atom 1146 (301552 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 33, first atom 1037 (119123 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1393 (192821 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 35, first atom 1176 (124908 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 36, first atom 1035 (179021 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 37, first atom 1154 (420366 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1390 (147524 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 39, first atom 1035 (104481 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 1389 (310417 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 41, first atom 1085 (156563 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 42, first atom 1079 (328243 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1469 (149533 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1391 (118145 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1392 (108333 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1394 (103726 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1186 (117522 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1393 (103594 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1693 (122112 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1420 (563717 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1400 (190645 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1394 (113651 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 54, first atom 1163 (150763 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1393 (134087 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 56, first atom 1420 (143182 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1181 (130685 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1184 (111327 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1389 (138558 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1078 (118072 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1420 (113561 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1389 (124376 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1079 (108966 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1389 (194327 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1187 (113668 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1389 (142566 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1395 (123225 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1389 (119285 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 77, first atom 1093 (101958 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 0, first atom 1081 (770569 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1081 (153738 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1835 (137922 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1081 (102332 -> 100000)
+Warn: 212 atom(s) hit accel clamp on step 5, first atom 0 (304962 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 6, first atom 146 (246380 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 7, first atom 313 (137625 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 8, first atom 146 (147927 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 9, first atom 161 (583004 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 10, first atom 161 (118044 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 11, first atom 441 (120121 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 12, first atom 1045 (188832 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 13, first atom 161 (166465 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 14, first atom 50 (200389 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 15, first atom 1048 (147964 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 16, first atom 1047 (105930 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 17, first atom 1047 (3068969 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 18, first atom 426 (133113 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 19, first atom 1082 (116454 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 20, first atom 167 (183916 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 21, first atom 432 (179321 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 22, first atom 432 (118571 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 23, first atom 1105 (182687 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 24, first atom 1047 (148292 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 25, first atom 1101 (330536 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 26, first atom 1099 (126810 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 27, first atom 1047 (227143 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 28, first atom 1127 (122113 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 29, first atom 1090 (104754 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 30, first atom 1166 (304510 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 31, first atom 1091 (120870 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1172 (286414 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 33, first atom 1048 (107716 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 34, first atom 1081 (105052 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 35, first atom 1081 (356449 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 36, first atom 1081 (443462 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 37, first atom 1054 (102131 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 38, first atom 1090 (105904 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 39, first atom 427 (108473 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1082 (282054 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 41, first atom 1187 (220688 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1054 (100671 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1082 (173975 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1200 (101468 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 45, first atom 1182 (108470 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1307 (103799 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1096 (112829 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 48, first atom 421 (100053 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1408 (696351 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1408 (121920 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1420 (106282 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 52, first atom 1094 (108737 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1173 (110936 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 54, first atom 1091 (200372 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 55, first atom 1197 (120704 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1091 (119876 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1090 (114518 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1178 (192659 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1312 (118496 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1092 (106070 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 63, first atom 1307 (123438 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1183 (135520 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1092 (107723 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1412 (104003 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1182 (118336 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1194 (113971 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1410 (128763 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1199 (107755 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1175 (102535 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1670 (166760 -> 100000)
+Warn: 263 atom(s) hit accel clamp on step 1, first atom 0 (304769 -> 100000)
+Warn: 106 atom(s) hit accel clamp on step 2, first atom 146 (118203 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 3, first atom 47 (168567 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 4, first atom 47 (154657 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 5, first atom 161 (441160 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 6, first atom 33 (215258 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 7, first atom 1031 (214731 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 8, first atom 1031 (151127 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 9, first atom 134 (164940 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 10, first atom 427 (103623 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 11, first atom 1034 (126449 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 12, first atom 310 (125164 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 13, first atom 161 (233072 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 14, first atom 426 (159697 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 15, first atom 421 (120802 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 16, first atom 1068 (4182676 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 17, first atom 1062 (102415 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 18, first atom 1057 (189354 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 19, first atom 1033 (155531 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 20, first atom 1033 (115051 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 21, first atom 1067 (186918 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 22, first atom 1034 (113495 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 23, first atom 1061 (114400 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 24, first atom 1061 (104569 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 25, first atom 1077 (148479 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 26, first atom 46 (117826 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 27, first atom 1076 (102050 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 28, first atom 1068 (287997 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 29, first atom 1051 (119727 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 30, first atom 1033 (103206 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 31, first atom 1069 (290311 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 32, first atom 109 (253808 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 33, first atom 1062 (593589 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 34, first atom 1062 (466744 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 35, first atom 1068 (295755 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 36, first atom 1068 (100628 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 37, first atom 1069 (123731 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 38, first atom 1076 (112182 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 39, first atom 1061 (108596 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 40, first atom 1079 (190331 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 41, first atom 1077 (195105 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 42, first atom 1179 (276930 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 43, first atom 425 (110867 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 44, first atom 1069 (139839 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 45, first atom 1067 (131007 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1062 (106318 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 47, first atom 1068 (509860 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 48, first atom 1068 (345052 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1071 (112791 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 50, first atom 1071 (146981 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 51, first atom 1070 (1042764 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 52, first atom 1063 (105460 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 53, first atom 1068 (120841 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1076 (189710 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 55, first atom 1076 (180596 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1135 (120264 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 57, first atom 1068 (293646 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1068 (248627 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1313 (141538 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1078 (102712 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1297 (133077 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 63, first atom 1069 (134460 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1393 (129388 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 65, first atom 1068 (159948 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1706 (104318 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 68, first atom 1079 (148015 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1079 (173251 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 70, first atom 1068 (139319 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 71, first atom 1079 (116647 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1170 (173990 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 75, first atom 1088 (116689 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1711 (109218 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1711 (114017 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1067 (146512 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1397 (103710 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1391 (105103 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 102, first atom 1394 (141169 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 115, first atom 1067 (110234 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1187 (181586 -> 100000)
+Warn: 251 atom(s) hit accel clamp on step 1, first atom 0 (304744 -> 100000)
+Warn: 95 atom(s) hit accel clamp on step 2, first atom 146 (125078 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 3, first atom 47 (169184 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 4, first atom 47 (156989 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 5, first atom 161 (436665 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 6, first atom 161 (119712 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 7, first atom 1032 (252664 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 8, first atom 1032 (142654 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 9, first atom 134 (139863 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 10, first atom 312 (103973 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 11, first atom 1032 (100085 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 12, first atom 310 (182880 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 13, first atom 1035 (217766 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 14, first atom 426 (158767 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 15, first atom 1059 (145443 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 16, first atom 432 (138148 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 17, first atom 1159 (131927 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 18, first atom 1035 (104132 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 19, first atom 155 (187895 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 20, first atom 1070 (2105396 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 21, first atom 1070 (2132930 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 22, first atom 1070 (848432 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 23, first atom 1062 (160476 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 24, first atom 1062 (211175 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 25, first atom 337 (106849 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 26, first atom 1058 (122743 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 27, first atom 1058 (147717 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 28, first atom 1069 (322803 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 29, first atom 1114 (106376 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 30, first atom 1069 (1030398 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 31, first atom 1070 (114759 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 32, first atom 1040 (302735 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 33, first atom 1069 (314833 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 34, first atom 1070 (2010266 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 35, first atom 806 (156794 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 36, first atom 1078 (273467 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 37, first atom 1068 (141142 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 38, first atom 1068 (119499 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1068 (106261 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 40, first atom 1069 (304835 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 41, first atom 1388 (143256 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 42, first atom 1062 (106983 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 43, first atom 1079 (130254 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 44, first atom 1070 (540344 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1070 (466351 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1040 (156970 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1069 (104843 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 48, first atom 1062 (148968 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1078 (108579 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1169 (172623 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 51, first atom 1063 (101497 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1041 (121093 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1382 (136719 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 54, first atom 1077 (168227 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 55, first atom 1041 (111307 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 56, first atom 1077 (105395 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1502 (146996 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1041 (113219 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1077 (151738 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1069 (112960 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 61, first atom 1041 (103438 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1077 (119222 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1077 (450096 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 64, first atom 1077 (138591 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1718 (117393 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1182 (104195 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1183 (101360 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1077 (196819 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1069 (141080 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1077 (104156 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1388 (114616 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1293 (189028 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.70 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6022 / 6089 solvent mols in 360 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42381 ms
+Warn: 30 atom(s) hit accel clamp on step 0, first atom 1078 (205070 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1371 (166359 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 2, first atom 1092 (124454 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1388 (204957 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1388 (230440 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1388 (155900 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1237 (102234 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.59 Cell vol: 207.09 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.92 Å
+Added 6026 / 6085 solvent mols in 372 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41847 ms
+Initializing solvent molecules...
+Solvent-free vol: 182.59 Cell vol: 207.09 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.92 Å
+Added 6026 / 6085 solvent mols in 368 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42071 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1192 (162294 -> 100000)
+Warn: 258 atom(s) hit accel clamp on step 1, first atom 0 (304530 -> 100000)
+Warn: 99 atom(s) hit accel clamp on step 2, first atom 146 (122949 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 3, first atom 47 (168606 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 4, first atom 47 (156477 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 5, first atom 161 (448452 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 6, first atom 161 (164407 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 7, first atom 1073 (120106 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 8, first atom 1075 (315393 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 9, first atom 134 (220705 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 10, first atom 312 (117320 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 11, first atom 1037 (111185 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 12, first atom 310 (106901 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 13, first atom 438 (114473 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 14, first atom 426 (163646 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 15, first atom 166 (157492 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 16, first atom 149 (174850 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 17, first atom 1066 (327595 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 18, first atom 155 (120351 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 19, first atom 425 (171379 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 20, first atom 1062 (165293 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 21, first atom 1065 (100282 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 22, first atom 1082 (197263 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 23, first atom 1065 (152245 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 24, first atom 1072 (112430 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 25, first atom 1066 (124355 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 26, first atom 1036 (120176 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 27, first atom 432 (121726 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 28, first atom 35 (127138 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 29, first atom 808 (127235 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 30, first atom 1037 (746799 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 31, first atom 1036 (107507 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 32, first atom 433 (187015 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 33, first atom 1072 (108836 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 34, first atom 1036 (123669 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 35, first atom 1043 (127220 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 36, first atom 1071 (196387 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 37, first atom 427 (112434 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1066 (133633 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1072 (115926 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 40, first atom 1392 (101177 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 41, first atom 1065 (107717 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 1065 (194298 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 43, first atom 1065 (239853 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 44, first atom 1160 (123375 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 45, first atom 1065 (150110 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 46, first atom 1066 (395816 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1176 (300550 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 48, first atom 1087 (267272 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 49, first atom 1085 (110761 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 50, first atom 1071 (110314 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 51, first atom 1074 (301715 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 52, first atom 1071 (175354 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 53, first atom 1065 (161409 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1071 (107452 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1066 (102475 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 56, first atom 1071 (186608 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1071 (157853 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 59, first atom 1071 (144608 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1080 (222799 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1074 (204718 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1065 (281363 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1184 (101059 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 66, first atom 1065 (226455 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 67, first atom 1065 (211104 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 68, first atom 1066 (183796 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1789 (134852 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1788 (158394 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1189 (112469 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 75, first atom 1075 (195215 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1039 (102410 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1788 (102254 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1391 (113608 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1391 (102597 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1064 (108407 -> 100000)
+Warn: 263 atom(s) hit accel clamp on step 1, first atom 1 (262035 -> 100000)
+Warn: 104 atom(s) hit accel clamp on step 2, first atom 146 (119827 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 3, first atom 47 (168945 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 4, first atom 47 (156165 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 5, first atom 161 (455724 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 6, first atom 34 (113561 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 7, first atom 1065 (100620 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 8, first atom 1075 (117996 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 9, first atom 134 (264976 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 10, first atom 424 (111104 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 11, first atom 879 (136625 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 12, first atom 310 (205595 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 13, first atom 1072 (215399 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 14, first atom 426 (162969 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 15, first atom 1071 (898522 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 16, first atom 1071 (160013 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 17, first atom 1072 (143846 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 18, first atom 1075 (110500 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 19, first atom 425 (142276 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 20, first atom 1065 (146534 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 21, first atom 1080 (106698 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 22, first atom 52 (104219 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 23, first atom 1073 (2193936 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 24, first atom 1073 (286222 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 25, first atom 1072 (141427 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 26, first atom 424 (102585 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 27, first atom 424 (114621 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 28, first atom 1072 (112825 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 29, first atom 1084 (329687 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 30, first atom 1083 (373023 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 31, first atom 1071 (119615 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 32, first atom 1072 (155266 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 33, first atom 1066 (121138 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1081 (199520 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1091 (114926 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 36, first atom 1072 (103098 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 37, first atom 1071 (215336 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 38, first atom 1066 (126623 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 39, first atom 1073 (121964 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 40, first atom 1073 (143481 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 41, first atom 1081 (191304 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 42, first atom 1184 (619623 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 43, first atom 1071 (259046 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1071 (115921 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1071 (120133 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1181 (261006 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 47, first atom 1159 (101819 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1072 (948990 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1072 (373239 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 50, first atom 1081 (229411 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 51, first atom 1307 (108728 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 52, first atom 1071 (113574 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 53, first atom 1084 (114185 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 54, first atom 1401 (131379 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1081 (4227034 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 56, first atom 1081 (1728864 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 57, first atom 1081 (1331865 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1081 (222587 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1086 (131470 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1080 (121073 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 62, first atom 1074 (105758 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 63, first atom 1078 (161598 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1404 (133017 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1080 (179076 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1080 (109038 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1071 (106169 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1406 (268917 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1081 (128352 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1074 (101593 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1074 (125001 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1304 (136890 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1718 (114335 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 75, first atom 1301 (353081 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1189 (102280 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1071 (149031 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1183 (106376 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 0, first atom 1078 (204821 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1102 (166431 -> 100000)
+Warn: 238 atom(s) hit accel clamp on step 2, first atom 0 (304603 -> 100000)
+Warn: 87 atom(s) hit accel clamp on step 3, first atom 308 (275478 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 4, first atom 136 (111714 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 5, first atom 798 (143330 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 6, first atom 308 (277069 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 7, first atom 308 (280524 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 8, first atom 1036 (100331 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 9, first atom 1122 (125613 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 10, first atom 1034 (173132 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 11, first atom 425 (112199 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 12, first atom 1038 (131217 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 13, first atom 1037 (334139 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 14, first atom 1037 (1801758 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 15, first atom 427 (163630 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 16, first atom 1034 (214196 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 17, first atom 1062 (101547 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 18, first atom 1064 (284864 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 19, first atom 1038 (112363 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 20, first atom 426 (110056 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 21, first atom 1073 (130163 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 22, first atom 1073 (141366 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 23, first atom 1248 (189544 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 24, first atom 1078 (101339 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 25, first atom 1079 (106145 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 26, first atom 1073 (276244 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1062 (112639 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1078 (189353 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 29, first atom 1189 (238173 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 30, first atom 1066 (179915 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1243 (125582 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 32, first atom 1207 (123063 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1066 (115912 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 34, first atom 1179 (137427 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 424 (101835 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1408 (163800 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 37, first atom 1062 (113039 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 426 (165150 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 40, first atom 1037 (120798 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 41, first atom 1398 (206307 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1162 (141164 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1513 (101625 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1189 (151311 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1410 (150452 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1409 (116361 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1306 (112345 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1405 (139484 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1311 (105012 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1411 (134855 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1405 (112427 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 54, first atom 1405 (177004 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1072 (168840 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 57, first atom 1240 (328957 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1074 (323361 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1408 (102432 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1405 (108826 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1405 (100746 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1406 (2070847 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1406 (354571 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1405 (179731 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1405 (225956 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1410 (108958 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1067 (106437 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1857 (3482760 -> 100000)
+Warn: 282 atom(s) hit accel clamp on step 1, first atom 0 (304568 -> 100000)
+Warn: 109 atom(s) hit accel clamp on step 2, first atom 146 (118103 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 3, first atom 47 (168641 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 4, first atom 47 (156135 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 5, first atom 161 (442347 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 6, first atom 34 (156452 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 7, first atom 1080 (117966 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 8, first atom 1082 (127312 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 9, first atom 134 (276603 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 10, first atom 312 (103806 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 11, first atom 1044 (124886 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 12, first atom 44 (112497 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 13, first atom 161 (203666 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 14, first atom 426 (162227 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 15, first atom 1072 (131685 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 16, first atom 1040 (227276 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 17, first atom 1040 (140775 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 18, first atom 1079 (120724 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 19, first atom 425 (126209 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 20, first atom 1091 (1223414 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 21, first atom 162 (228424 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 22, first atom 1047 (133157 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 23, first atom 432 (113044 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 24, first atom 1073 (131982 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 25, first atom 1073 (222411 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 26, first atom 1182 (114225 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 27, first atom 1079 (279086 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 28, first atom 811 (144815 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 29, first atom 1049 (118895 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 30, first atom 1079 (167435 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 31, first atom 1080 (143750 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 32, first atom 1078 (167313 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 33, first atom 1078 (109658 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 34, first atom 1080 (113374 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 35, first atom 1043 (156458 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 36, first atom 1072 (146341 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 37, first atom 433 (121345 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 38, first atom 1080 (218829 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1089 (126409 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 40, first atom 1087 (989604 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 41, first atom 1088 (740587 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 1088 (298624 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 43, first atom 1089 (123517 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 44, first atom 1196 (114079 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 45, first atom 1079 (104084 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 46, first atom 1089 (243181 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 47, first atom 1078 (117519 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 48, first atom 1078 (268556 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 49, first atom 1078 (953686 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1079 (119953 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 51, first atom 1088 (519390 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1172 (102983 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1196 (281719 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1195 (104400 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 55, first atom 1082 (154982 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1195 (181706 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1088 (155551 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 58, first atom 1073 (120660 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 59, first atom 1165 (155903 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1087 (167194 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1195 (130995 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 63, first atom 1211 (131057 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1211 (103628 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1088 (446724 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1088 (637264 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1088 (221603 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 68, first atom 1191 (107810 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1079 (502930 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 71, first atom 1197 (206890 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1185 (105932 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1078 (101434 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1730 (109757 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1089 (138098 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1839 (104427 -> 100000)
+Warn: 272 atom(s) hit accel clamp on step 1, first atom 1 (234341 -> 100000)
+Warn: 107 atom(s) hit accel clamp on step 2, first atom 146 (120387 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 3, first atom 47 (168954 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 4, first atom 47 (156092 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 5, first atom 161 (448613 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 6, first atom 33 (360475 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 7, first atom 1067 (184626 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 8, first atom 1065 (110559 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 9, first atom 134 (260250 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 10, first atom 424 (113067 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 11, first atom 1066 (354484 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 12, first atom 310 (132408 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 13, first atom 161 (307804 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 14, first atom 158 (126936 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 15, first atom 1067 (113352 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 16, first atom 1072 (168471 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 17, first atom 1067 (291983 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 18, first atom 48 (163319 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 19, first atom 425 (117763 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 20, first atom 1066 (148607 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 21, first atom 1066 (187127 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 22, first atom 1066 (554545 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 23, first atom 1067 (109092 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 24, first atom 1066 (100059 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 25, first atom 1067 (143596 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 26, first atom 1067 (107313 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 27, first atom 1083 (108885 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 28, first atom 1066 (159017 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 29, first atom 1069 (133856 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 30, first atom 1072 (132717 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 31, first atom 1072 (149219 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 32, first atom 1175 (131433 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 33, first atom 1072 (186471 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 34, first atom 1067 (105600 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 35, first atom 1163 (120448 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 36, first atom 1072 (100322 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 37, first atom 1082 (191321 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 38, first atom 1073 (114654 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 39, first atom 1076 (101527 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 40, first atom 1067 (283100 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 41, first atom 1081 (256488 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 42, first atom 1072 (259708 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 43, first atom 1073 (114988 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 44, first atom 1081 (457042 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1185 (104072 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 46, first atom 1073 (111480 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 47, first atom 1074 (179066 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 48, first atom 1062 (219888 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1717 (141468 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1072 (107486 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 51, first atom 1067 (145247 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1067 (170521 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1176 (265484 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1407 (166099 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1186 (222606 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 56, first atom 1073 (174799 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1077 (229703 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1077 (183030 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 59, first atom 1408 (624885 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1159 (194617 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1084 (107461 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1072 (205378 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1409 (177832 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1176 (898480 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1077 (130459 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1084 (104588 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1185 (111230 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1177 (141688 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1072 (100506 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1176 (107907 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1727 (111560 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1082 (147284 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1163 (118519 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1186 (156296 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1088 (102952 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1187 (109280 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 92, first atom 1074 (120726 -> 100000)
+Warn: 278 atom(s) hit accel clamp on step 1, first atom 0 (304543 -> 100000)
+Warn: 107 atom(s) hit accel clamp on step 2, first atom 146 (120131 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 3, first atom 47 (168894 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 4, first atom 47 (156370 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 5, first atom 161 (451005 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 6, first atom 34 (144317 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 7, first atom 1078 (114010 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 8, first atom 1082 (455914 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 9, first atom 134 (223251 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 10, first atom 424 (119968 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 11, first atom 884 (141153 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 12, first atom 1041 (154319 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 13, first atom 438 (112811 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 14, first atom 158 (143401 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 15, first atom 1066 (161299 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 16, first atom 35 (102952 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 17, first atom 1076 (2093426 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 18, first atom 1071 (260537 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 19, first atom 425 (172578 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 20, first atom 1070 (124444 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 21, first atom 1076 (114953 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 22, first atom 163 (177044 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 23, first atom 1070 (129454 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 24, first atom 1066 (147225 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 25, first atom 1066 (136065 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 26, first atom 35 (127280 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 27, first atom 1077 (1390417 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 28, first atom 44 (326569 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 29, first atom 1067 (163160 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 30, first atom 32 (150436 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 31, first atom 1076 (321029 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 32, first atom 1070 (486388 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 33, first atom 1070 (287770 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 34, first atom 1078 (163343 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 35, first atom 1056 (103614 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 36, first atom 50 (105154 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 37, first atom 1070 (845395 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1085 (143357 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 39, first atom 1041 (139276 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 40, first atom 1087 (440720 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 41, first atom 1085 (165723 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 42, first atom 1087 (119466 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 43, first atom 1086 (391807 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 44, first atom 1087 (2131729 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 45, first atom 1096 (109157 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 46, first atom 1076 (111728 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 47, first atom 1077 (187757 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 48, first atom 1077 (253884 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 49, first atom 1073 (208177 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 50, first atom 1076 (137775 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 51, first atom 1078 (152374 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 52, first atom 1055 (131367 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 53, first atom 1076 (194390 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1717 (104209 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 55, first atom 1077 (271998 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 56, first atom 1071 (105419 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 57, first atom 1077 (144787 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1405 (123780 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 59, first atom 1080 (136866 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1077 (193162 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 61, first atom 1190 (132149 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1409 (117479 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 63, first atom 1408 (111742 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1085 (226229 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1078 (268220 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1085 (370675 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 67, first atom 1078 (151977 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 68, first atom 1065 (103175 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 69, first atom 1078 (501743 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1065 (148620 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1085 (153560 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 72, first atom 1065 (140369 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 73, first atom 1078 (150901 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1085 (323263 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 75, first atom 1191 (102954 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 76, first atom 1085 (139761 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 77, first atom 1066 (116798 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1409 (122208 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1077 (179223 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1076 (101728 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1401 (150151 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1408 (131516 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1077 (114678 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1079 (168477 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1402 (102314 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 94, first atom 1092 (116903 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 106, first atom 1190 (104262 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 108, first atom 1085 (104562 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 111, first atom 1086 (106807 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 113, first atom 1087 (100346 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 124, first atom 1085 (172437 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.70 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6023 / 6089 solvent mols in 365 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42534 ms
+Warn: 28 atom(s) hit accel clamp on step 0, first atom 1034 (257165 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 1, first atom 1078 (129148 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 2, first atom 1585 (132566 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1384 (157775 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1034 (106671 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1696 (211770 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1696 (108070 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 15, first atom 1585 (103552 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1696 (163794 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1696 (102700 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.28 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5911 / 6042 solvent mols in 354 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41354 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.28 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5911 / 6042 solvent mols in 352 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42532 ms
+Warn: 15 atom(s) hit accel clamp on step 0, first atom 1072 (203360 -> 100000)
+Warn: 200 atom(s) hit accel clamp on step 1, first atom 0 (304651 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 2, first atom 308 (274332 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 3, first atom 136 (128232 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 4, first atom 798 (152999 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 5, first atom 308 (275871 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 6, first atom 308 (275324 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 7, first atom 1197 (437993 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 8, first atom 1043 (108982 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 9, first atom 1073 (192325 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 10, first atom 311 (122547 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 11, first atom 1038 (123653 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 12, first atom 1073 (145923 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 433 (170986 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 14, first atom 186 (111951 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 15, first atom 1039 (294517 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 1038 (175860 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 17, first atom 1039 (122012 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 18, first atom 1185 (107144 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 19, first atom 1186 (206028 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 20, first atom 1163 (111179 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 21, first atom 1202 (100925 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1039 (201413 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1039 (288048 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 1186 (103356 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 25, first atom 1121 (101024 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 1206 (123247 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1205 (239003 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1713 (121859 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1220 (133687 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 30, first atom 1355 (206751 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1188 (102688 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1188 (179633 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1397 (169294 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1399 (730028 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1399 (2076713 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 36, first atom 1393 (237128 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 37, first atom 1225 (119001 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1719 (100688 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1400 (115115 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1406 (166400 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1393 (101848 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1076 (106845 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1395 (257463 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1400 (111401 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1395 (222723 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1394 (136344 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1395 (267869 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1395 (111319 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1396 (190813 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1038 (123667 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1186 (110914 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 53, first atom 1038 (173259 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1720 (102426 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1509 (111713 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 61, first atom 1257 (136529 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1396 (108836 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1395 (148416 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1395 (105948 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1395 (211238 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1713 (137165 -> 100000)
+Warn: 274 atom(s) hit accel clamp on step 1, first atom 0 (304670 -> 100000)
+Warn: 104 atom(s) hit accel clamp on step 2, first atom 146 (120342 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 3, first atom 47 (169039 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 4, first atom 47 (155686 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 5, first atom 161 (441363 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 6, first atom 33 (197219 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 7, first atom 1077 (112138 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 8, first atom 1065 (277412 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 9, first atom 134 (102157 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 10, first atom 424 (137096 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 11, first atom 1041 (263565 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 12, first atom 44 (197812 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 13, first atom 432 (155793 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 14, first atom 426 (154948 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 15, first atom 1075 (2095247 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 16, first atom 1041 (124817 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 17, first atom 1041 (146992 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 18, first atom 1087 (576460 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 19, first atom 1075 (431645 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 20, first atom 35 (127314 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 21, first atom 35 (135264 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 22, first atom 1069 (171966 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 23, first atom 1069 (239624 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 24, first atom 35 (300420 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 25, first atom 1079 (100330 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 26, first atom 1075 (116707 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 27, first atom 205 (158175 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 28, first atom 1086 (183937 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 29, first atom 1077 (123652 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 30, first atom 1048 (105744 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 31, first atom 1075 (583745 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 32, first atom 35 (108656 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 33, first atom 1075 (210265 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 34, first atom 1083 (178572 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 35, first atom 1075 (207392 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 36, first atom 1072 (407971 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1075 (143431 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 38, first atom 1072 (221942 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 39, first atom 1069 (169347 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 40, first atom 1069 (126502 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 41, first atom 1088 (2132476 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 42, first atom 1069 (468261 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 43, first atom 1076 (327163 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1080 (478900 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 45, first atom 1075 (142757 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 46, first atom 1075 (133266 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 47, first atom 1075 (351487 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 48, first atom 1075 (223784 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 49, first atom 1075 (165982 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1076 (185473 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 51, first atom 1075 (214453 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 52, first atom 1071 (154838 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 53, first atom 1086 (224234 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1075 (106048 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 56, first atom 1075 (227774 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1080 (102087 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1091 (134753 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1087 (185968 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 61, first atom 1078 (121603 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 62, first atom 1086 (419171 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1395 (255632 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1396 (244760 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1189 (119125 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1070 (146943 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1084 (236914 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1090 (107343 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1075 (284694 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1084 (111568 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1075 (108244 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1403 (197457 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1403 (110634 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1084 (125492 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1084 (131296 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1086 (244234 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1077 (101169 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1086 (100311 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 87, first atom 1077 (137441 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1076 (110212 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 96, first atom 1076 (221971 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 101, first atom 1075 (114045 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1077 (147972 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1101 (170408 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1158 (103971 -> 100000)
+Warn: 236 atom(s) hit accel clamp on step 6, first atom 0 (304479 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 7, first atom 308 (267673 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 8, first atom 422 (245486 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 9, first atom 47 (166047 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 10, first atom 233 (157867 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 11, first atom 231 (176236 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 12, first atom 1062 (125443 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 13, first atom 231 (106323 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 14, first atom 1042 (123266 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 15, first atom 313 (108441 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 16, first atom 1037 (172067 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 17, first atom 1061 (132959 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 18, first atom 426 (153208 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 19, first atom 1038 (234800 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 20, first atom 1038 (331230 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 21, first atom 1062 (167746 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 22, first atom 1073 (113148 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 23, first atom 1071 (313760 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 24, first atom 1072 (107586 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 25, first atom 1061 (144757 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 26, first atom 1073 (841166 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 27, first atom 1073 (631516 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 28, first atom 1205 (141950 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 29, first atom 1047 (189358 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 30, first atom 318 (197015 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 31, first atom 1072 (109982 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 32, first atom 1061 (224980 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 33, first atom 1071 (298166 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 34, first atom 1044 (217102 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 35, first atom 1044 (107795 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1205 (125443 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 37, first atom 1396 (193107 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 38, first atom 1071 (179785 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 39, first atom 1354 (114344 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 40, first atom 1044 (111498 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 41, first atom 1394 (289410 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 1072 (315022 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 43, first atom 1389 (101528 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1210 (107933 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1210 (113132 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1387 (183146 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 47, first atom 1213 (111697 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1388 (152589 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1193 (179391 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 50, first atom 1387 (100622 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1201 (173249 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 52, first atom 1061 (172052 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1394 (101472 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1394 (118870 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1399 (198864 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1232 (319250 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1232 (166982 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1297 (102711 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1501 (152136 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 63, first atom 1203 (108116 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1470 (112148 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 65, first atom 1395 (119608 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1814 (117771 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1397 (121715 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 68, first atom 1397 (122542 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1501 (111698 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1394 (129813 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1504 (103621 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 73, first atom 1394 (102544 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1394 (156460 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1398 (136360 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1419 (157505 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1468 (103751 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1256 (101856 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1473 (100526 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 104, first atom 1397 (177085 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 108, first atom 1389 (202618 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 124, first atom 322 (261100 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 125, first atom 322 (216612 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 126, first atom 1888 (802402 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 127, first atom 1311 (118494 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 128, first atom 1314 (187447 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 129, first atom 1012 (173505 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 130, first atom 1010 (106183 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 131, first atom 1883 (142443 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 132, first atom 1879 (115117 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 133, first atom 1883 (142538 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 134, first atom 1887 (138036 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 135, first atom 1882 (391663 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 136, first atom 1882 (279020 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 137, first atom 1311 (186863 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 138, first atom 1888 (200076 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 139, first atom 1314 (119015 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 140, first atom 1889 (125752 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 141, first atom 1311 (322649 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 142, first atom 1311 (923825 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 143, first atom 1311 (328740 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 144, first atom 1888 (129682 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 145, first atom 1863 (180113 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 146, first atom 1302 (111760 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 147, first atom 1883 (273064 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 148, first atom 1311 (154340 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 150, first atom 1302 (327265 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 151, first atom 1302 (131455 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 152, first atom 1158 (464353 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 153, first atom 1158 (317012 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 154, first atom 1009 (183276 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 155, first atom 1158 (146289 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 156, first atom 329 (105870 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 157, first atom 1158 (165887 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 158, first atom 1881 (187245 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 159, first atom 1889 (138861 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 160, first atom 1087 (126747 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 161, first atom 1158 (207318 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 162, first atom 1903 (308103 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 163, first atom 1797 (121120 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 164, first atom 1313 (193188 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 165, first atom 1302 (301164 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 166, first atom 1302 (109534 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 167, first atom 1797 (494281 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 168, first atom 1311 (640173 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 169, first atom 1311 (318090 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 170, first atom 1311 (272920 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 171, first atom 1311 (254909 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 173, first atom 1302 (101420 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 174, first atom 1301 (110140 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 175, first atom 1903 (142017 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 177, first atom 1302 (230710 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 180, first atom 1302 (100143 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 181, first atom 1796 (114819 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 182, first atom 1314 (120509 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 183, first atom 1311 (223877 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 184, first atom 1311 (109136 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 186, first atom 1314 (127810 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 187, first atom 1311 (1033602 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 188, first atom 1311 (165282 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 189, first atom 1311 (182086 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 193, first atom 1321 (200872 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 199, first atom 1311 (237647 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 200, first atom 1311 (108824 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 201, first atom 1314 (106860 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 233, first atom 609 (217024 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 235, first atom 599 (235274 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 239, first atom 1513 (267986 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 240, first atom 1513 (107981 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 244, first atom 1526 (189929 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 245, first atom 1512 (697918 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 246, first atom 1512 (601972 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 247, first atom 1512 (140697 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 248, first atom 1512 (144954 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 249, first atom 1729 (103899 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 250, first atom 584 (299227 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 251, first atom 1515 (134615 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 252, first atom 1515 (169334 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 253, first atom 844 (219160 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 254, first atom 1509 (105877 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 255, first atom 1729 (879541 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 256, first atom 1509 (357998 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 257, first atom 1509 (153889 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 258, first atom 1447 (113347 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 259, first atom 1525 (193258 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 260, first atom 1513 (936815 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 261, first atom 1525 (105204 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 262, first atom 1513 (111002 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 263, first atom 1514 (100501 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 264, first atom 1525 (115707 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 266, first atom 1513 (110251 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 267, first atom 1525 (102203 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 268, first atom 1721 (102089 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 269, first atom 15 (135350 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 270, first atom 1721 (115635 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 271, first atom 1754 (180520 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 272, first atom 1416 (735586 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 273, first atom 1342 (767553 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 274, first atom 1738 (109600 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 275, first atom 1342 (160134 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 276, first atom 400 (122570 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 277, first atom 416 (261274 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 278, first atom 1384 (350231 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 279, first atom 411 (244040 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 280, first atom 1384 (336491 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 281, first atom 1391 (105407 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 282, first atom 1434 (146395 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 283, first atom 1394 (242382 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 284, first atom 1414 (225121 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 285, first atom 490 (172971 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 286, first atom 703 (210464 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 287, first atom 1123 (164074 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 288, first atom 1343 (101142 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 289, first atom 669 (307499 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 290, first atom 91 (160896 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 291, first atom 1379 (103248 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 292, first atom 1123 (209704 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 293, first atom 431 (123271 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 294, first atom 1232 (150067 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 295, first atom 830 (184165 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 296, first atom 230 (118159 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 297, first atom 395 (344935 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 298, first atom 836 (143867 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 299, first atom 264 (133885 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 300, first atom 379 (259543 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 301, first atom 175 (342235 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 302, first atom 321 (176174 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 303, first atom 321 (159437 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 304, first atom 553 (115741 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 305, first atom 70 (131530 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 306, first atom 586 (175523 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 307, first atom 278 (298833 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 308, first atom 14 (124797 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 309, first atom 152 (254056 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 310, first atom 19 (174632 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 311, first atom 174 (231616 -> 100000)
+Warn: 83 atom(s) hit accel clamp on step 312, first atom 149 (103412 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 313, first atom 175 (156124 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 314, first atom 286 (326631 -> 100000)
+Warn: 97 atom(s) hit accel clamp on step 315, first atom 247 (120638 -> 100000)
+Warn: 108 atom(s) hit accel clamp on step 316, first atom 114 (124783 -> 100000)
+Warn: 107 atom(s) hit accel clamp on step 317, first atom 328 (341767 -> 100000)
+Warn: 111 atom(s) hit accel clamp on step 318, first atom 196 (343680 -> 100000)
+Warn: 113 atom(s) hit accel clamp on step 319, first atom 149 (159069 -> 100000)
+Warn: 122 atom(s) hit accel clamp on step 320, first atom 149 (168754 -> 100000)
+Warn: 139 atom(s) hit accel clamp on step 321, first atom 57 (122013 -> 100000)
+Warn: 148 atom(s) hit accel clamp on step 322, first atom 41 (138859 -> 100000)
+Warn: 166 atom(s) hit accel clamp on step 323, first atom 57 (241141 -> 100000)
+Warn: 159 atom(s) hit accel clamp on step 324, first atom 128 (109779 -> 100000)
+Warn: 182 atom(s) hit accel clamp on step 325, first atom 101 (175860 -> 100000)
+Warn: 195 atom(s) hit accel clamp on step 326, first atom 103 (106829 -> 100000)
+Warn: 188 atom(s) hit accel clamp on step 327, first atom 129 (140176 -> 100000)
+Warn: 210 atom(s) hit accel clamp on step 328, first atom 13 (229597 -> 100000)
+Warn: 229 atom(s) hit accel clamp on step 329, first atom 6 (131333 -> 100000)
+Warn: 219 atom(s) hit accel clamp on step 330, first atom 3 (140649 -> 100000)
+Warn: 237 atom(s) hit accel clamp on step 331, first atom 116 (307671 -> 100000)
+Warn: 295 atom(s) hit accel clamp on step 332, first atom 55 (159791 -> 100000)
+Warn: 315 atom(s) hit accel clamp on step 333, first atom 6 (135777 -> 100000)
+Warn: 352 atom(s) hit accel clamp on step 334, first atom 0 (120708 -> 100000)
+Warn: 405 atom(s) hit accel clamp on step 335, first atom 0 (273093 -> 100000)
+Warn: 452 atom(s) hit accel clamp on step 336, first atom 13 (369482 -> 100000)
+Warn: 474 atom(s) hit accel clamp on step 337, first atom 2 (110276 -> 100000)
+Warn: 503 atom(s) hit accel clamp on step 338, first atom 14 (241711 -> 100000)
+Warn: 530 atom(s) hit accel clamp on step 339, first atom 16 (269567 -> 100000)
+Warn: 588 atom(s) hit accel clamp on step 340, first atom 6 (133870 -> 100000)
+Warn: 622 atom(s) hit accel clamp on step 341, first atom 37 (348694 -> 100000)
+Warn: 655 atom(s) hit accel clamp on step 342, first atom 18 (109391 -> 100000)
+Warn: 696 atom(s) hit accel clamp on step 343, first atom 0 (127633 -> 100000)
+Warn: 755 atom(s) hit accel clamp on step 344, first atom 6 (129101 -> 100000)
+Warn: 868 atom(s) hit accel clamp on step 345, first atom 13 (353033 -> 100000)
+Warn: 866 atom(s) hit accel clamp on step 346, first atom 20 (161178 -> 100000)
+Warn: 899 atom(s) hit accel clamp on step 347, first atom 0 (295242 -> 100000)
+Warn: 975 atom(s) hit accel clamp on step 348, first atom 2 (342059 -> 100000)
+Warn: 995 atom(s) hit accel clamp on step 349, first atom 2 (341994 -> 100000)
+Warn: 1072 atom(s) hit accel clamp on step 350, first atom 2 (153126 -> 100000)
+Warn: 1087 atom(s) hit accel clamp on step 351, first atom 0 (357502 -> 100000)
+Warn: 1145 atom(s) hit accel clamp on step 352, first atom 0 (402439 -> 100000)
+Warn: 1185 atom(s) hit accel clamp on step 353, first atom 1 (440959 -> 100000)
+Warn: 1248 atom(s) hit accel clamp on step 354, first atom 1 (370768 -> 100000)
+Warn: 1239 atom(s) hit accel clamp on step 355, first atom 0 (317393 -> 100000)
+Warn: 1294 atom(s) hit accel clamp on step 356, first atom 1 (161510 -> 100000)
+Warn: 1304 atom(s) hit accel clamp on step 357, first atom 1 (500074 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1077 (220122 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1101 (160762 -> 100000)
+Warn: 230 atom(s) hit accel clamp on step 4, first atom 0 (305042 -> 100000)
+Warn: 81 atom(s) hit accel clamp on step 5, first atom 308 (266396 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 6, first atom 317 (401435 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 7, first atom 235 (175623 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 8, first atom 308 (280891 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 9, first atom 1044 (356796 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 10, first atom 1071 (159239 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 11, first atom 300 (144288 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 12, first atom 301 (110405 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 13, first atom 311 (179858 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 14, first atom 1037 (193020 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 15, first atom 1038 (106863 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 16, first atom 433 (164805 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 17, first atom 427 (158952 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 18, first atom 1071 (107912 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 19, first atom 1038 (152334 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 20, first atom 1203 (346925 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 21, first atom 1065 (111583 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 22, first atom 1185 (141207 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 23, first atom 1061 (109562 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 24, first atom 1185 (161875 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 25, first atom 1038 (100236 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 26, first atom 433 (195949 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 27, first atom 1202 (1459424 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 28, first atom 1066 (105853 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 29, first atom 1203 (110847 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 30, first atom 1248 (174910 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1077 (319177 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 32, first atom 1073 (178436 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 33, first atom 1044 (147766 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 34, first atom 1197 (101125 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1204 (162592 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1204 (209615 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 37, first atom 1071 (108034 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 38, first atom 1193 (120172 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 39, first atom 1037 (149945 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 1044 (121982 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 41, first atom 1210 (156066 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 43, first atom 1066 (137599 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1239 (104687 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 45, first atom 1298 (102256 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1044 (107848 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1471 (135571 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1185 (234581 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 49, first atom 1400 (2153395 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1395 (275490 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1213 (102297 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1240 (165859 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 53, first atom 457 (298082 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 447 (285429 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 441 (136575 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1398 (160587 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1397 (106128 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1394 (111322 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1203 (209942 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1394 (139074 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 61, first atom 1406 (107630 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1433 (151884 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1432 (102839 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 444 (361043 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1408 (101436 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 66, first atom 1418 (111929 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1406 (413894 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 68, first atom 1401 (651200 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 69, first atom 1399 (106898 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 70, first atom 1202 (279818 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 71, first atom 1403 (171101 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1404 (211206 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1404 (503095 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1404 (291936 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1525 (121729 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1525 (105519 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1403 (127972 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1405 (212363 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1399 (112196 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1369 (292456 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1418 (197558 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 86, first atom 1405 (130266 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1404 (110977 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1408 (108267 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1406 (127441 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1406 (143523 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 101, first atom 1403 (146361 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 123, first atom 1403 (120792 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 126, first atom 1762 (217391 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 127, first atom 859 (344084 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 128, first atom 855 (175008 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 129, first atom 1759 (362601 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 130, first atom 1759 (448882 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 132, first atom 1279 (172763 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 133, first atom 1279 (479805 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 134, first atom 1278 (133677 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 135, first atom 1279 (269627 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 137, first atom 1278 (267302 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 138, first atom 1278 (125414 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 139, first atom 1281 (652300 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 140, first atom 1277 (114838 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 141, first atom 1760 (232809 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 142, first atom 1274 (198649 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 143, first atom 1758 (327469 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 144, first atom 1758 (230821 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 145, first atom 862 (135952 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 146, first atom 1761 (385698 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 147, first atom 1281 (140543 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 149, first atom 1763 (117820 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 150, first atom 1758 (102014 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 151, first atom 1287 (103701 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 164, first atom 1759 (139458 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 165, first atom 1273 (106006 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 167, first atom 296 (188033 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 169, first atom 1851 (571218 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 170, first atom 1290 (103322 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 171, first atom 1137 (228872 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 172, first atom 1316 (946016 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 173, first atom 102 (162319 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 174, first atom 1137 (101108 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 175, first atom 1321 (126956 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 176, first atom 1547 (181579 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 177, first atom 611 (348983 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 178, first atom 1286 (133724 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 179, first atom 296 (125250 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 180, first atom 1145 (180911 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 181, first atom 112 (189934 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 182, first atom 1145 (491818 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 183, first atom 1145 (212668 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 184, first atom 1174 (121321 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 185, first atom 1135 (162379 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 186, first atom 1132 (110249 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 187, first atom 1145 (212002 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 188, first atom 1142 (101528 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 189, first atom 1103 (1691473 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 190, first atom 70 (224725 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 191, first atom 99 (112082 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 192, first atom 280 (302165 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 193, first atom 297 (210578 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 194, first atom 1161 (109264 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 195, first atom 1102 (100488 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 196, first atom 1121 (125704 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 197, first atom 73 (137042 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 198, first atom 284 (168491 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 199, first atom 1122 (423464 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 200, first atom 285 (109267 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 201, first atom 304 (161482 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 202, first atom 68 (242743 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 203, first atom 290 (129089 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 204, first atom 411 (261501 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 205, first atom 1071 (209800 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 206, first atom 1071 (321655 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 207, first atom 867 (164975 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 208, first atom 1071 (182810 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 209, first atom 297 (112234 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 210, first atom 1082 (164233 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 211, first atom 296 (143272 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 212, first atom 1114 (148826 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 213, first atom 1097 (128091 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 214, first atom 1102 (241693 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 215, first atom 1119 (150841 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 216, first atom 1103 (203028 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 217, first atom 1281 (148161 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 218, first atom 90 (197847 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 219, first atom 949 (347282 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 220, first atom 5 (348496 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 221, first atom 1039 (524945 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 222, first atom 706 (240741 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 223, first atom 701 (344989 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 224, first atom 668 (348985 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 225, first atom 13 (205018 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 226, first atom 418 (170455 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 227, first atom 8 (271008 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 228, first atom 8 (169336 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 229, first atom 647 (158966 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 230, first atom 301 (343538 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 231, first atom 45 (342003 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 232, first atom 72 (101595 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 233, first atom 748 (263236 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 234, first atom 301 (115299 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 235, first atom 1 (205649 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 236, first atom 1039 (497400 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 237, first atom 667 (352764 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 238, first atom 228 (107218 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 239, first atom 3 (133748 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 240, first atom 708 (137996 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 241, first atom 3 (223884 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 242, first atom 72 (103336 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 243, first atom 1002 (130314 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 244, first atom 553 (197049 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 245, first atom 1036 (291809 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 246, first atom 30 (180662 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 247, first atom 228 (259890 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 248, first atom 567 (140342 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 249, first atom 1039 (325177 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 250, first atom 114 (108905 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 251, first atom 620 (253865 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 252, first atom 221 (159014 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 253, first atom 707 (150335 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 254, first atom 576 (276639 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 255, first atom 261 (347099 -> 100000)
+Warn: 94 atom(s) hit accel clamp on step 256, first atom 11 (124934 -> 100000)
+Warn: 119 atom(s) hit accel clamp on step 257, first atom 282 (101675 -> 100000)
+Warn: 88 atom(s) hit accel clamp on step 258, first atom 285 (100192 -> 100000)
+Warn: 119 atom(s) hit accel clamp on step 259, first atom 267 (256233 -> 100000)
+Warn: 146 atom(s) hit accel clamp on step 260, first atom 248 (176263 -> 100000)
+Warn: 124 atom(s) hit accel clamp on step 261, first atom 273 (109287 -> 100000)
+Warn: 153 atom(s) hit accel clamp on step 262, first atom 13 (344923 -> 100000)
+Warn: 152 atom(s) hit accel clamp on step 263, first atom 195 (266423 -> 100000)
+Warn: 165 atom(s) hit accel clamp on step 264, first atom 195 (385687 -> 100000)
+Warn: 211 atom(s) hit accel clamp on step 265, first atom 0 (200885 -> 100000)
+Warn: 217 atom(s) hit accel clamp on step 266, first atom 13 (374584 -> 100000)
+Warn: 221 atom(s) hit accel clamp on step 267, first atom 24 (342223 -> 100000)
+Warn: 230 atom(s) hit accel clamp on step 268, first atom 0 (152924 -> 100000)
+Warn: 264 atom(s) hit accel clamp on step 269, first atom 83 (261477 -> 100000)
+Warn: 292 atom(s) hit accel clamp on step 270, first atom 41 (164687 -> 100000)
+Warn: 314 atom(s) hit accel clamp on step 271, first atom 9 (141999 -> 100000)
+Warn: 320 atom(s) hit accel clamp on step 272, first atom 1 (193462 -> 100000)
+Warn: 356 atom(s) hit accel clamp on step 273, first atom 1 (214164 -> 100000)
+Warn: 399 atom(s) hit accel clamp on step 274, first atom 58 (133942 -> 100000)
+Warn: 462 atom(s) hit accel clamp on step 275, first atom 51 (171595 -> 100000)
+Warn: 488 atom(s) hit accel clamp on step 276, first atom 1 (190677 -> 100000)
+Warn: 541 atom(s) hit accel clamp on step 277, first atom 6 (138345 -> 100000)
+Warn: 580 atom(s) hit accel clamp on step 278, first atom 1 (387237 -> 100000)
+Warn: 665 atom(s) hit accel clamp on step 279, first atom 1 (169597 -> 100000)
+Warn: 659 atom(s) hit accel clamp on step 280, first atom 1 (105362 -> 100000)
+Warn: 701 atom(s) hit accel clamp on step 281, first atom 56 (164362 -> 100000)
+Warn: 799 atom(s) hit accel clamp on step 282, first atom 1 (381342 -> 100000)
+Warn: 842 atom(s) hit accel clamp on step 283, first atom 1 (354971 -> 100000)
+Warn: 846 atom(s) hit accel clamp on step 284, first atom 5 (382652 -> 100000)
+Warn: 889 atom(s) hit accel clamp on step 285, first atom 5 (120445 -> 100000)
+Warn: 905 atom(s) hit accel clamp on step 286, first atom 1 (201777 -> 100000)
+Warn: 944 atom(s) hit accel clamp on step 287, first atom 4 (183602 -> 100000)
+Warn: 1001 atom(s) hit accel clamp on step 288, first atom 1 (179599 -> 100000)
+Warn: 1045 atom(s) hit accel clamp on step 289, first atom 7 (148328 -> 100000)
+Warn: 1084 atom(s) hit accel clamp on step 290, first atom 0 (295211 -> 100000)
+Warn: 1124 atom(s) hit accel clamp on step 291, first atom 3 (266755 -> 100000)
+Warn: 1200 atom(s) hit accel clamp on step 292, first atom 0 (397650 -> 100000)
+Warn: 1253 atom(s) hit accel clamp on step 293, first atom 1 (409339 -> 100000)
+Warn: 1255 atom(s) hit accel clamp on step 294, first atom 1 (126477 -> 100000)
+Warn: 1228 atom(s) hit accel clamp on step 295, first atom 2 (139443 -> 100000)
+Warn: 1268 atom(s) hit accel clamp on step 296, first atom 0 (247460 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.70 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6023 / 6089 solvent mols in 376 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43020 ms
+Warn: 28 atom(s) hit accel clamp on step 0, first atom 1080 (386508 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 1, first atom 1080 (179246 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1389 (101643 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1389 (149370 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1699 (107158 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1699 (171034 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.28 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5911 / 6042 solvent mols in 352 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41710 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.28 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5911 / 6042 solvent mols in 351 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41593 ms
+Warn: 276 atom(s) hit accel clamp on step 5, first atom 0 (305268 -> 100000)
+Warn: 102 atom(s) hit accel clamp on step 6, first atom 147 (218186 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 7, first atom 34 (173377 -> 100000)
+Warn: 88 atom(s) hit accel clamp on step 8, first atom 34 (153890 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 9, first atom 162 (541671 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 10, first atom 162 (128878 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 11, first atom 1067 (110767 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 12, first atom 300 (156069 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 13, first atom 160 (196953 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 14, first atom 425 (112608 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 15, first atom 1043 (518988 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 16, first atom 1044 (103642 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 17, first atom 433 (101642 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 18, first atom 427 (124614 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 19, first atom 161 (159033 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 20, first atom 433 (133087 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 21, first atom 431 (100124 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 22, first atom 1041 (130496 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 23, first atom 1043 (110444 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 24, first atom 1067 (135346 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 25, first atom 1067 (124010 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 26, first atom 1077 (197483 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 27, first atom 160 (165116 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 28, first atom 427 (141951 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 29, first atom 1077 (183531 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 30, first atom 1077 (338118 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 31, first atom 1050 (118977 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 32, first atom 43 (149887 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 33, first atom 1050 (254464 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 34, first atom 1050 (128230 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 35, first atom 1077 (152790 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 36, first atom 1050 (183788 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 37, first atom 1050 (146285 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 38, first atom 1077 (404884 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 39, first atom 1078 (167777 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 40, first atom 1097 (158160 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 41, first atom 1087 (212172 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 42, first atom 1072 (119911 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 43, first atom 1334 (136611 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1097 (163025 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 45, first atom 1091 (371802 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 46, first atom 1086 (175497 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1097 (111144 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1077 (205410 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 49, first atom 1077 (188124 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1100 (106689 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 51, first atom 1092 (131265 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1077 (159050 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 53, first atom 1077 (266773 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 54, first atom 1400 (104206 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1086 (106467 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1098 (186033 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1072 (109125 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1072 (151803 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1181 (108063 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1402 (103254 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 64, first atom 1410 (103932 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 65, first atom 1302 (103618 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1414 (101234 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1302 (112648 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 69, first atom 1066 (111205 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1190 (102816 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1092 (109267 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 72, first atom 1079 (101119 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 73, first atom 1097 (108960 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1208 (111277 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1097 (173308 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1097 (103129 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1195 (108935 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1432 (108516 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1086 (108922 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 107, first atom 1078 (102578 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 108, first atom 1078 (140299 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.69 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6024 / 6089 solvent mols in 381 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42604 ms
+Warn: 27 atom(s) hit accel clamp on step 0, first atom 1085 (425749 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 1, first atom 1085 (212714 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1702 (218931 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1394 (157605 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1702 (109460 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1702 (211134 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.58 Cell vol: 207.09 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.92 Å
+Added 6029 / 6085 solvent mols in 358 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43145 ms
+Initializing solvent molecules...
+Solvent-free vol: 182.58 Cell vol: 207.09 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.92 Å
+Added 6029 / 6085 solvent mols in 391 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42644 ms
+Warn: 16 atom(s) hit accel clamp on step 0, first atom 1077 (452086 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 1, first atom 1262 (918883 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1259 (107259 -> 100000)
+Warn: 262 atom(s) hit accel clamp on step 3, first atom 0 (305098 -> 100000)
+Warn: 95 atom(s) hit accel clamp on step 4, first atom 147 (161995 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 5, first atom 34 (176534 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 6, first atom 147 (230878 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 7, first atom 47 (106854 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 8, first atom 27 (100276 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 9, first atom 1079 (197389 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 10, first atom 1047 (241814 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 11, first atom 160 (110098 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 12, first atom 425 (100543 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 13, first atom 1048 (124889 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 14, first atom 1047 (1462865 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 15, first atom 1047 (789427 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 16, first atom 427 (163543 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 17, first atom 1050 (274159 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 18, first atom 433 (200039 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 19, first atom 1085 (870001 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 20, first atom 1057 (146216 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 21, first atom 428 (109270 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 22, first atom 135 (122089 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 23, first atom 1079 (128017 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 24, first atom 136 (137722 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 25, first atom 1086 (105829 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 26, first atom 1079 (317014 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 27, first atom 433 (181260 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 28, first atom 1085 (862718 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 29, first atom 1085 (1240205 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 30, first atom 35 (152214 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 31, first atom 35 (164408 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 32, first atom 1107 (142134 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 33, first atom 1057 (218511 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1205 (119466 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 35, first atom 1205 (275465 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 36, first atom 1079 (323226 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 37, first atom 1079 (126956 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 38, first atom 1086 (252031 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 39, first atom 1080 (105307 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 40, first atom 1080 (264296 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 41, first atom 1080 (288488 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 42, first atom 1085 (451196 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 43, first atom 433 (106365 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 44, first atom 1079 (141066 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1085 (164583 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1085 (149759 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 47, first atom 1198 (167644 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1201 (196146 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 49, first atom 1074 (177706 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1085 (278051 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1095 (163585 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 52, first atom 1085 (249206 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 53, first atom 1085 (395800 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 54, first atom 1098 (114866 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 55, first atom 1080 (155201 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 56, first atom 1093 (104015 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1208 (125159 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1824 (109849 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1085 (100185 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1086 (210369 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1423 (102349 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1491 (116104 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 72, first atom 1085 (106572 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1417 (111751 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1418 (109995 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 77, first atom 1086 (190155 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1830 (113159 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1418 (102897 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1206 (101673 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1428 (128002 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 86, first atom 1417 (353069 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1418 (100282 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1840 (117547 -> 100000)
+Warn: 283 atom(s) hit accel clamp on step 1, first atom 1 (190335 -> 100000)
+Warn: 109 atom(s) hit accel clamp on step 2, first atom 147 (121674 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 3, first atom 47 (143247 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 4, first atom 147 (207240 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 5, first atom 162 (458616 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 6, first atom 162 (163029 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 7, first atom 1081 (138507 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 8, first atom 1069 (161675 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 9, first atom 310 (129677 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 10, first atom 425 (103910 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 11, first atom 1073 (681471 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 12, first atom 311 (156479 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 13, first atom 1051 (122797 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 14, first atom 427 (157044 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 15, first atom 44 (201227 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 16, first atom 1063 (104668 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 17, first atom 420 (220086 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 18, first atom 1079 (2107102 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 19, first atom 889 (108138 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 20, first atom 1069 (105451 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 21, first atom 1079 (159968 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 22, first atom 35 (129512 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 23, first atom 315 (166774 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 24, first atom 1073 (117245 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 25, first atom 1079 (128621 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 26, first atom 1073 (144846 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 27, first atom 1107 (127466 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 28, first atom 1069 (115323 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 29, first atom 416 (127120 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 30, first atom 1080 (122173 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 31, first atom 1081 (490206 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 32, first atom 1051 (104172 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 33, first atom 1074 (170733 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 34, first atom 1074 (122255 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 35, first atom 1079 (154935 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 36, first atom 1079 (1207439 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 37, first atom 35 (131851 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 38, first atom 35 (124479 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 39, first atom 1073 (100368 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 40, first atom 1089 (137063 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 41, first atom 1079 (105600 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 42, first atom 1079 (112099 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 43, first atom 1088 (105163 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 44, first atom 1090 (152483 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 45, first atom 1073 (101815 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 46, first atom 1079 (169214 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 47, first atom 1088 (1508459 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 48, first atom 1079 (123677 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 49, first atom 1088 (150991 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1090 (181561 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 51, first atom 1074 (185949 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1074 (104879 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 53, first atom 1088 (249193 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 54, first atom 1088 (190396 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 55, first atom 1074 (105461 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 56, first atom 1082 (104131 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1214 (134163 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1088 (108901 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 59, first atom 1074 (103395 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1088 (341723 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 61, first atom 1079 (292146 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1201 (156949 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 63, first atom 1098 (111957 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1409 (105667 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1089 (109078 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1199 (106187 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 67, first atom 1083 (109123 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1088 (143730 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1196 (172679 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1088 (103487 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1080 (191613 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1410 (728098 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1410 (1009292 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1196 (186113 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1411 (100117 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1424 (107930 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1069 (114161 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 87, first atom 1410 (109070 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1424 (114264 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1424 (137407 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 94, first atom 1091 (123409 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 99, first atom 1414 (341103 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 105, first atom 1310 (106324 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 127, first atom 1089 (110191 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 126 (141525 -> 100000)
+Warn: 290 atom(s) hit accel clamp on step 1, first atom 0 (304503 -> 100000)
+Warn: 110 atom(s) hit accel clamp on step 2, first atom 135 (127654 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 3, first atom 47 (142224 -> 100000)
+Warn: 87 atom(s) hit accel clamp on step 4, first atom 147 (204053 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 5, first atom 131 (129192 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 6, first atom 34 (125695 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 7, first atom 308 (145719 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 8, first atom 315 (157462 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 9, first atom 1074 (595066 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 10, first atom 421 (101006 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 11, first atom 1036 (107628 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 12, first atom 311 (184809 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 13, first atom 334 (126749 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 14, first atom 423 (155846 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 15, first atom 806 (111936 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 16, first atom 1039 (102424 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 17, first atom 307 (148837 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 18, first atom 1046 (182331 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 19, first atom 46 (260484 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 20, first atom 1074 (117866 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 21, first atom 1075 (131906 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 22, first atom 1074 (183615 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 23, first atom 334 (134748 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 24, first atom 1076 (217822 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 25, first atom 1068 (126695 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 26, first atom 1075 (108272 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 27, first atom 1083 (112641 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 28, first atom 1040 (124928 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 29, first atom 1074 (118916 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 30, first atom 313 (107354 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 31, first atom 1069 (110812 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 32, first atom 1074 (146144 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 33, first atom 422 (199020 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 34, first atom 1083 (113301 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 35, first atom 1208 (189746 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 36, first atom 1075 (175046 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 37, first atom 1074 (104917 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 38, first atom 1074 (568728 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 39, first atom 1074 (181960 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 40, first atom 1075 (127288 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 41, first atom 1086 (115021 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 42, first atom 1172 (142104 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 43, first atom 1089 (199231 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 44, first atom 307 (172896 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 45, first atom 1171 (150331 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 46, first atom 1084 (269112 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 47, first atom 1309 (194722 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 48, first atom 1164 (160865 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 49, first atom 1307 (170443 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 50, first atom 1309 (110897 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 51, first atom 1074 (121332 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1088 (304422 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 53, first atom 1088 (230689 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 54, first atom 1305 (116916 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 55, first atom 1079 (179002 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 56, first atom 1074 (116647 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1306 (142994 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 58, first atom 1076 (113849 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 59, first atom 1305 (135057 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1084 (113972 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 61, first atom 1078 (115135 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 62, first atom 1163 (100675 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 63, first atom 1167 (100168 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 64, first atom 1076 (120076 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1279 (142485 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 66, first atom 189 (200643 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 67, first atom 1046 (142950 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 68, first atom 189 (112014 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 69, first atom 1094 (131102 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 70, first atom 1076 (159560 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 71, first atom 151 (360492 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 72, first atom 57 (279497 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 73, first atom 140 (262944 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 74, first atom 1173 (173854 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 75, first atom 1091 (249227 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 76, first atom 15 (260541 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 77, first atom 1091 (103609 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 78, first atom 143 (184103 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 79, first atom 1051 (121154 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 80, first atom 1104 (1059877 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 81, first atom 1097 (186067 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 82, first atom 1004 (258980 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 83, first atom 1083 (109367 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 84, first atom 105 (103000 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 85, first atom 1083 (131188 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 86, first atom 1083 (113370 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 87, first atom 1083 (224452 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 88, first atom 126 (109172 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 89, first atom 84 (260465 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 90, first atom 1051 (156907 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 91, first atom 1046 (120718 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 92, first atom 84 (118568 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 93, first atom 1061 (324637 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 94, first atom 326 (165529 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 95, first atom 1129 (810865 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 96, first atom 837 (110826 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 97, first atom 1158 (319162 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 98, first atom 319 (156207 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 99, first atom 319 (138564 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 100, first atom 88 (113446 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 101, first atom 1086 (150869 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 102, first atom 1107 (252103 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 103, first atom 70 (348663 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 104, first atom 224 (349720 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 105, first atom 308 (263037 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 106, first atom 955 (105370 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 107, first atom 289 (261649 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 108, first atom 1108 (152560 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 109, first atom 1051 (128032 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 110, first atom 1127 (257768 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 111, first atom 1143 (199175 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 112, first atom 837 (159016 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 113, first atom 327 (130054 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 114, first atom 707 (147588 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 115, first atom 268 (141656 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 116, first atom 1106 (103863 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 117, first atom 251 (259123 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 118, first atom 879 (155319 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 119, first atom 694 (311434 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 120, first atom 390 (349614 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 121, first atom 290 (268215 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 122, first atom 189 (334274 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 123, first atom 821 (133575 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 124, first atom 1106 (104446 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 125, first atom 1113 (143177 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 126, first atom 1184 (240471 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 127, first atom 571 (210840 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 128, first atom 1132 (125013 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 129, first atom 452 (186177 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 130, first atom 612 (160050 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 131, first atom 15 (266393 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 132, first atom 15 (132806 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 133, first atom 15 (128496 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 134, first atom 15 (201076 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 135, first atom 15 (176476 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 136, first atom 176 (228048 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 137, first atom 174 (109408 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 138, first atom 292 (185056 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 139, first atom 41 (115643 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 140, first atom 16 (139253 -> 100000)
+Warn: 83 atom(s) hit accel clamp on step 141, first atom 593 (174302 -> 100000)
+Warn: 91 atom(s) hit accel clamp on step 142, first atom 300 (120880 -> 100000)
+Warn: 100 atom(s) hit accel clamp on step 143, first atom 666 (102318 -> 100000)
+Warn: 113 atom(s) hit accel clamp on step 144, first atom 22 (103570 -> 100000)
+Warn: 103 atom(s) hit accel clamp on step 145, first atom 259 (110934 -> 100000)
+Warn: 127 atom(s) hit accel clamp on step 146, first atom 42 (306621 -> 100000)
+Warn: 129 atom(s) hit accel clamp on step 147, first atom 223 (228280 -> 100000)
+Warn: 125 atom(s) hit accel clamp on step 148, first atom 259 (290469 -> 100000)
+Warn: 118 atom(s) hit accel clamp on step 149, first atom 121 (260657 -> 100000)
+Warn: 131 atom(s) hit accel clamp on step 150, first atom 42 (118234 -> 100000)
+Warn: 141 atom(s) hit accel clamp on step 151, first atom 37 (113862 -> 100000)
+Warn: 146 atom(s) hit accel clamp on step 152, first atom 84 (119369 -> 100000)
+Warn: 174 atom(s) hit accel clamp on step 153, first atom 484 (338158 -> 100000)
+Warn: 182 atom(s) hit accel clamp on step 154, first atom 323 (154484 -> 100000)
+Warn: 208 atom(s) hit accel clamp on step 155, first atom 3 (121840 -> 100000)
+Warn: 208 atom(s) hit accel clamp on step 156, first atom 5 (107836 -> 100000)
+Warn: 230 atom(s) hit accel clamp on step 157, first atom 78 (307082 -> 100000)
+Warn: 262 atom(s) hit accel clamp on step 158, first atom 116 (124580 -> 100000)
+Warn: 274 atom(s) hit accel clamp on step 159, first atom 23 (347984 -> 100000)
+Warn: 287 atom(s) hit accel clamp on step 160, first atom 12 (347400 -> 100000)
+Warn: 343 atom(s) hit accel clamp on step 161, first atom 5 (221890 -> 100000)
+Warn: 361 atom(s) hit accel clamp on step 162, first atom 24 (564281 -> 100000)
+Warn: 379 atom(s) hit accel clamp on step 163, first atom 0 (100097 -> 100000)
+Warn: 430 atom(s) hit accel clamp on step 164, first atom 21 (102151 -> 100000)
+Warn: 460 atom(s) hit accel clamp on step 165, first atom 2 (483834 -> 100000)
+Warn: 464 atom(s) hit accel clamp on step 166, first atom 2 (191010 -> 100000)
+Warn: 511 atom(s) hit accel clamp on step 167, first atom 12 (176073 -> 100000)
+Warn: 557 atom(s) hit accel clamp on step 168, first atom 9 (324375 -> 100000)
+Warn: 597 atom(s) hit accel clamp on step 169, first atom 3 (159498 -> 100000)
+Warn: 671 atom(s) hit accel clamp on step 170, first atom 1 (157459 -> 100000)
+Warn: 702 atom(s) hit accel clamp on step 171, first atom 1 (366204 -> 100000)
+Warn: 777 atom(s) hit accel clamp on step 172, first atom 1 (146994 -> 100000)
+Warn: 792 atom(s) hit accel clamp on step 173, first atom 1 (258808 -> 100000)
+Warn: 857 atom(s) hit accel clamp on step 174, first atom 0 (135102 -> 100000)
+Warn: 962 atom(s) hit accel clamp on step 175, first atom 3 (136929 -> 100000)
+Warn: 1055 atom(s) hit accel clamp on step 176, first atom 3 (234778 -> 100000)
+Warn: 1100 atom(s) hit accel clamp on step 177, first atom 0 (297048 -> 100000)
+Warn: 1145 atom(s) hit accel clamp on step 178, first atom 3 (142838 -> 100000)
+Warn: 1214 atom(s) hit accel clamp on step 179, first atom 2 (330139 -> 100000)
+Warn: 1242 atom(s) hit accel clamp on step 180, first atom 2 (323504 -> 100000)
+Warn: 1221 atom(s) hit accel clamp on step 181, first atom 2 (391660 -> 100000)
+Warn: 1298 atom(s) hit accel clamp on step 182, first atom 1 (317332 -> 100000)
+Warn: 1284 atom(s) hit accel clamp on step 183, first atom 0 (285579 -> 100000)
+Warn: 1299 atom(s) hit accel clamp on step 184, first atom 0 (300507 -> 100000)
+Warn: 1322 atom(s) hit accel clamp on step 185, first atom 1 (918807 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 1077 (247438 -> 100000)
+Warn: 269 atom(s) hit accel clamp on step 1, first atom 0 (304453 -> 100000)
+Warn: 98 atom(s) hit accel clamp on step 2, first atom 147 (120374 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 3, first atom 47 (123196 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 4, first atom 147 (199832 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 5, first atom 162 (464419 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 6, first atom 162 (163035 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 7, first atom 828 (153848 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 8, first atom 1047 (209269 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 9, first atom 1085 (281566 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 10, first atom 425 (105805 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 11, first atom 896 (108802 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 12, first atom 895 (238074 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 13, first atom 135 (105538 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 14, first atom 427 (157083 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 15, first atom 1050 (197092 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 16, first atom 1050 (111815 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 17, first atom 48 (168228 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 18, first atom 1085 (851516 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 19, first atom 1085 (341765 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 20, first atom 1087 (153898 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 21, first atom 1094 (885578 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 22, first atom 1077 (291684 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 23, first atom 1091 (391413 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 24, first atom 1079 (158781 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 25, first atom 1079 (121252 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 26, first atom 1093 (106963 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 27, first atom 1079 (178715 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 28, first atom 1095 (143694 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 29, first atom 1089 (128532 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 30, first atom 1079 (105108 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 31, first atom 1107 (100947 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 32, first atom 1087 (326689 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 33, first atom 1085 (100465 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 34, first atom 1087 (682199 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 35, first atom 1085 (112323 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 36, first atom 1086 (118352 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 37, first atom 1086 (115601 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 38, first atom 1202 (207735 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1086 (146849 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 1079 (141357 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 41, first atom 1051 (105736 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 42, first atom 1413 (106290 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 43, first atom 1164 (111674 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 44, first atom 1051 (126129 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 45, first atom 1100 (100919 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1075 (124756 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 47, first atom 1080 (141782 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 48, first atom 1101 (100874 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 49, first atom 1217 (102317 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1412 (359073 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 51, first atom 1051 (207415 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1724 (343009 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 53, first atom 1094 (153986 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1094 (116828 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1086 (142672 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 56, first atom 1086 (101877 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1108 (107594 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1094 (108251 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1094 (129949 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1825 (116803 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1094 (122361 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1085 (112421 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1729 (102202 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1087 (145253 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1415 (117607 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1105 (103082 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1088 (103523 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1096 (114670 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 78, first atom 1413 (130545 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1414 (132444 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.70 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6025 / 6089 solvent mols in 362 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41397 ms
+Warn: 35 atom(s) hit accel clamp on step 0, first atom 1048 (216821 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1092 (161781 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1498 (114041 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1399 (277704 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1399 (113216 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1707 (166403 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 10, first atom 1597 (102206 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1707 (104382 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.28 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5915 / 6042 solvent mols in 369 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41117 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.28 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5915 / 6042 solvent mols in 353 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41714 ms
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1050 (155771 -> 100000)
+Warn: 288 atom(s) hit accel clamp on step 1, first atom 29 (243546 -> 100000)
+Warn: 105 atom(s) hit accel clamp on step 2, first atom 147 (121239 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 3, first atom 47 (168763 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 4, first atom 47 (156564 -> 100000)
+Warn: 78 atom(s) hit accel clamp on step 5, first atom 162 (437570 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 6, first atom 34 (103075 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 7, first atom 1084 (129141 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 8, first atom 1076 (110197 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 9, first atom 298 (180123 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 10, first atom 424 (123279 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 11, first atom 1082 (192201 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 12, first atom 311 (147822 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 13, first atom 1083 (208407 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 14, first atom 426 (162183 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 15, first atom 1082 (2151337 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 16, first atom 432 (158020 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 17, first atom 432 (164270 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 18, first atom 432 (200791 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 19, first atom 425 (155804 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 20, first atom 432 (101500 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 21, first atom 163 (146928 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 22, first atom 1077 (145761 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 23, first atom 1077 (102655 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 24, first atom 1006 (260397 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 25, first atom 432 (234451 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 26, first atom 432 (206382 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 27, first atom 1088 (109851 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 28, first atom 1110 (365640 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 29, first atom 428 (127947 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 30, first atom 1083 (2120819 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 31, first atom 1076 (106993 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 32, first atom 1094 (121153 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 33, first atom 1200 (176818 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 34, first atom 1095 (102900 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 35, first atom 1076 (137280 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 36, first atom 1093 (184907 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 37, first atom 1102 (128759 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 38, first atom 1083 (452959 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 39, first atom 1077 (331421 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 40, first atom 1077 (457464 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 41, first atom 1077 (213713 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 1082 (147125 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 43, first atom 1082 (377507 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 44, first atom 1083 (122948 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 45, first atom 1084 (498804 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 46, first atom 1083 (121825 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1094 (167035 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 48, first atom 1077 (113267 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1410 (298373 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1830 (119122 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 51, first atom 1204 (110678 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1083 (103269 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1083 (108210 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 54, first atom 1092 (133828 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 55, first atom 1092 (109173 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1083 (101293 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1406 (101226 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1089 (111557 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1196 (247448 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1083 (104749 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1084 (103512 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1197 (799814 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 63, first atom 1197 (192649 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1408 (554532 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1396 (138555 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1092 (104430 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1102 (105290 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1203 (128099 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1083 (128367 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1874 (115566 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1406 (230751 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1091 (254910 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1091 (236339 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1091 (168266 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1404 (105088 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1091 (178910 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1083 (131686 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1091 (132365 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.78 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6026 / 6092 solvent mols in 361 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41279 ms
+Warn: 39 atom(s) hit accel clamp on step 0, first atom 1090 (260279 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 1, first atom 1090 (139997 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1704 (134340 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1396 (353040 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1396 (339627 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 5, first atom 1396 (117320 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.36 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5916 / 6044 solvent mols in 364 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41636 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.36 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5916 / 6044 solvent mols in 356 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41313 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1158 (256749 -> 100000)
+Warn: 281 atom(s) hit accel clamp on step 1, first atom 0 (304525 -> 100000)
+Warn: 94 atom(s) hit accel clamp on step 2, first atom 160 (105316 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 3, first atom 47 (169885 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 4, first atom 47 (157053 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 5, first atom 147 (127856 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 6, first atom 34 (150739 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 7, first atom 430 (101441 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 8, first atom 1075 (656115 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 9, first atom 906 (148398 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 10, first atom 413 (147463 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 11, first atom 884 (101941 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 12, first atom 44 (195384 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 13, first atom 1062 (150566 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 14, first atom 415 (161326 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 15, first atom 1038 (117055 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 16, first atom 1072 (618074 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 17, first atom 1037 (100069 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 18, first atom 1062 (834667 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 19, first atom 46 (262221 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 20, first atom 45 (105690 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 21, first atom 49 (223498 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 22, first atom 35 (127938 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 23, first atom 35 (125131 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 24, first atom 1035 (102205 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 25, first atom 35 (151043 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 26, first atom 1039 (119868 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 27, first atom 1071 (492294 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 28, first atom 1065 (130678 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 29, first atom 1071 (105779 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 30, first atom 1079 (133898 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 31, first atom 1072 (133044 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 32, first atom 1076 (192934 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 33, first atom 1076 (178619 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 34, first atom 1073 (158822 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 35, first atom 1062 (179946 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 36, first atom 1062 (112553 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 37, first atom 1071 (199689 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 38, first atom 58 (137995 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 39, first atom 1065 (104270 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 40, first atom 1066 (149516 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 41, first atom 1065 (212165 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 42, first atom 1074 (109849 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 43, first atom 1079 (200380 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1372 (184505 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 45, first atom 1075 (105590 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 46, first atom 1073 (199380 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 47, first atom 1073 (919732 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1066 (554750 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 49, first atom 1066 (349579 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 50, first atom 1083 (1119012 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 51, first atom 1081 (833481 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 52, first atom 1066 (104908 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 53, first atom 1066 (383790 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 54, first atom 1067 (164937 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 55, first atom 1083 (2106282 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 56, first atom 1083 (2186054 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 57, first atom 1084 (490331 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 58, first atom 1071 (148335 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 59, first atom 1184 (153216 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 60, first atom 1081 (133385 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1081 (190345 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 62, first atom 1071 (137318 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 63, first atom 1072 (211024 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1081 (601491 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1081 (581016 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 67, first atom 1081 (147820 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 68, first atom 1083 (170606 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 69, first atom 1071 (169713 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 70, first atom 1075 (117004 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1700 (142312 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1692 (196976 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 73, first atom 1082 (260018 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1068 (101870 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1068 (162291 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1693 (180289 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1085 (109617 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1570 (100207 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1793 (103441 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 84, first atom 1082 (166206 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 87, first atom 1377 (182353 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 90, first atom 1073 (210008 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1082 (467675 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1082 (296395 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1694 (105510 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1082 (112714 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 105, first atom 1082 (205204 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 111, first atom 1082 (133528 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.89 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6031 / 6095 solvent mols in 357 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40991 ms
+Warn: 34 atom(s) hit accel clamp on step 0, first atom 1062 (101789 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 1, first atom 1079 (212088 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1680 (246747 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1372 (192757 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1570 (110662 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 8, first atom 1467 (103223 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1680 (151460 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1680 (112434 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1680 (122870 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1680 (101475 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1680 (118900 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.48 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5922 / 6048 solvent mols in 362 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41121 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.48 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5922 / 6048 solvent mols in 353 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40773 ms
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1827 (124860 -> 100000)
+Warn: 315 atom(s) hit accel clamp on step 15, first atom 0 (306233 -> 100000)
+Warn: 118 atom(s) hit accel clamp on step 16, first atom 236 (120012 -> 100000)
+Warn: 92 atom(s) hit accel clamp on step 17, first atom 1 (170440 -> 100000)
+Warn: 107 atom(s) hit accel clamp on step 18, first atom 34 (164753 -> 100000)
+Warn: 95 atom(s) hit accel clamp on step 19, first atom 136 (305737 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 20, first atom 136 (160069 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 21, first atom 27 (177831 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 22, first atom 299 (126931 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 23, first atom 309 (262363 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 24, first atom 188 (132488 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 25, first atom 1062 (119559 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 26, first atom 146 (117869 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 27, first atom 317 (117752 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 28, first atom 1038 (109535 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 29, first atom 1038 (302241 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 30, first atom 317 (100302 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 31, first atom 186 (126656 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 32, first atom 167 (101766 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 33, first atom 892 (115990 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 34, first atom 1039 (102894 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 35, first atom 421 (126691 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 36, first atom 239 (109232 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 37, first atom 237 (175871 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 38, first atom 237 (163779 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 39, first atom 1071 (201990 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 40, first atom 1071 (300238 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 41, first atom 237 (102138 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 42, first atom 1087 (418945 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 43, first atom 1039 (304135 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 44, first atom 1065 (245617 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 45, first atom 416 (355565 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 46, first atom 1065 (264385 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 47, first atom 1061 (168293 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 48, first atom 161 (129264 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 49, first atom 1061 (513419 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 50, first atom 1049 (102317 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 51, first atom 1071 (127277 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 52, first atom 1065 (157262 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 53, first atom 1049 (205044 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 54, first atom 1082 (118403 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 55, first atom 1091 (262700 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 56, first atom 1071 (286882 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 57, first atom 1065 (147992 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 58, first atom 1080 (106302 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 59, first atom 1083 (157468 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 60, first atom 1080 (116819 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 61, first atom 1072 (447736 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 62, first atom 1072 (547828 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 63, first atom 1071 (154766 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 64, first atom 1167 (116131 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 65, first atom 1176 (128894 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 66, first atom 1091 (102304 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 67, first atom 1192 (109205 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 68, first atom 1068 (127845 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 69, first atom 1061 (143186 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 70, first atom 1242 (137226 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 71, first atom 1080 (146697 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 72, first atom 1061 (104580 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 73, first atom 1080 (126724 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 74, first atom 1061 (223460 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 75, first atom 1061 (159652 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 76, first atom 1246 (106964 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1767 (226671 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 78, first atom 1246 (235410 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 79, first atom 1075 (185993 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1066 (101944 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1066 (164154 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 82, first atom 1293 (137929 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 83, first atom 1060 (106639 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 84, first atom 1066 (133783 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1066 (168647 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 86, first atom 1101 (103952 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1578 (100244 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 89, first atom 1072 (104026 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1764 (112454 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 91, first atom 1184 (113119 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1177 (101288 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 94, first atom 1066 (121301 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1240 (129787 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1581 (100694 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 98, first atom 1240 (195510 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 99, first atom 1240 (121861 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 100, first atom 1240 (103781 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 103, first atom 1240 (202854 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 105, first atom 1372 (143253 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 106, first atom 1237 (104476 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 108, first atom 1562 (301419 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 109, first atom 1562 (167114 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1213 (115904 -> 100000)
+Warn: 275 atom(s) hit accel clamp on step 1, first atom 0 (303065 -> 100000)
+Warn: 101 atom(s) hit accel clamp on step 2, first atom 147 (119214 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 3, first atom 47 (169001 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 4, first atom 47 (156676 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 5, first atom 162 (454775 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 6, first atom 33 (175330 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 7, first atom 421 (134586 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 8, first atom 1035 (122164 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 9, first atom 309 (173473 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 10, first atom 312 (110466 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 11, first atom 44 (106347 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 12, first atom 307 (131643 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 13, first atom 1065 (141325 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 14, first atom 415 (154112 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 15, first atom 1066 (535494 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 16, first atom 33 (112222 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 17, first atom 48 (173913 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 18, first atom 48 (177980 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 19, first atom 35 (134135 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 20, first atom 35 (130994 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 21, first atom 1071 (552788 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 22, first atom 1066 (261346 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 23, first atom 1065 (216178 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 24, first atom 1044 (193863 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 25, first atom 1044 (224015 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 26, first atom 1071 (703475 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 27, first atom 1066 (197818 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 28, first atom 1066 (100732 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 29, first atom 1044 (114288 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 30, first atom 35 (116983 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 31, first atom 415 (128638 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 32, first atom 48 (130425 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 33, first atom 1044 (117051 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 34, first atom 48 (167336 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 35, first atom 33 (109934 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 36, first atom 34 (107346 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 37, first atom 34 (143108 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 38, first atom 34 (139198 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 39, first atom 1071 (349183 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 40, first atom 35 (132280 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 41, first atom 1065 (137411 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 42, first atom 54 (119369 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 43, first atom 34 (131771 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 44, first atom 34 (123925 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 45, first atom 1066 (270915 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 46, first atom 1071 (289714 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 47, first atom 1073 (778538 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 48, first atom 34 (136806 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 49, first atom 34 (229515 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 50, first atom 34 (489471 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 51, first atom 34 (206468 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 52, first atom 34 (118902 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 53, first atom 1071 (438433 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 54, first atom 33 (127248 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 55, first atom 1065 (103414 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 56, first atom 34 (114582 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 57, first atom 34 (142794 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 58, first atom 34 (128820 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 59, first atom 1065 (700516 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 60, first atom 28 (192374 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 61, first atom 35 (187957 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 62, first atom 45 (213924 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 63, first atom 45 (192462 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 64, first atom 44 (162623 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 65, first atom 1072 (1972883 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 66, first atom 35 (156378 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 67, first atom 1073 (128399 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 68, first atom 1073 (2036671 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 69, first atom 1073 (1077870 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 70, first atom 1071 (479892 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 71, first atom 1071 (750480 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 72, first atom 1072 (159552 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 73, first atom 1065 (1532731 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 74, first atom 1065 (1965610 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 75, first atom 1065 (607589 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 76, first atom 1073 (123555 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 77, first atom 1065 (190996 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 78, first atom 1065 (160060 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 79, first atom 1061 (441380 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 80, first atom 35 (171679 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 81, first atom 1066 (223956 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 82, first atom 36 (102544 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 83, first atom 1065 (2107578 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 84, first atom 1065 (2081585 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 85, first atom 1065 (264062 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 86, first atom 1065 (145073 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 87, first atom 1066 (108991 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 88, first atom 46 (167984 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 89, first atom 49 (145537 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 90, first atom 1072 (441659 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 91, first atom 1067 (114059 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1077 (146865 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 94, first atom 1067 (1072715 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 95, first atom 1067 (171332 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 96, first atom 1065 (105861 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 97, first atom 1072 (112454 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 98, first atom 1072 (184535 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 100, first atom 1065 (163757 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 101, first atom 1065 (284303 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 102, first atom 1065 (296357 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 103, first atom 1072 (138360 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 104, first atom 1073 (132098 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 105, first atom 1077 (125944 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 106, first atom 1065 (128405 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 107, first atom 1065 (106466 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 108, first atom 1070 (179324 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 109, first atom 1065 (123933 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 110, first atom 1065 (243828 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 111, first atom 1075 (147355 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 113, first atom 1071 (122503 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 114, first atom 1071 (256772 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 118, first atom 1071 (140734 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 119, first atom 1080 (220201 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 120, first atom 1080 (187641 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 122, first atom 1080 (151739 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 123, first atom 1080 (168480 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 124, first atom 1080 (205489 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 126, first atom 1080 (120629 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 127, first atom 1080 (129846 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 131, first atom 1077 (106965 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.89 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6032 / 6095 solvent mols in 368 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42352 ms
+Warn: 36 atom(s) hit accel clamp on step 0, first atom 1036 (124008 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 1, first atom 1079 (197251 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1680 (250144 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1372 (141262 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1680 (110110 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1680 (337753 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1680 (171259 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 15, first atom 1680 (358616 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1680 (124247 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1680 (126552 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.47 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5923 / 6048 solvent mols in 352 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41775 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.47 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5923 / 6048 solvent mols in 385 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41356 ms
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1839 (159885 -> 100000)
+Warn: 309 atom(s) hit accel clamp on step 7, first atom 0 (305121 -> 100000)
+Warn: 109 atom(s) hit accel clamp on step 8, first atom 135 (115724 -> 100000)
+Warn: 84 atom(s) hit accel clamp on step 9, first atom 34 (177347 -> 100000)
+Warn: 112 atom(s) hit accel clamp on step 10, first atom 34 (145942 -> 100000)
+Warn: 83 atom(s) hit accel clamp on step 11, first atom 162 (458122 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 12, first atom 34 (108078 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 13, first atom 562 (363154 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 14, first atom 1035 (115775 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 15, first atom 430 (117523 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 16, first atom 34 (100097 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 17, first atom 310 (110890 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 18, first atom 237 (209781 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 19, first atom 415 (115090 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 20, first atom 1037 (177340 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 21, first atom 1037 (209167 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 22, first atom 49 (235067 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 23, first atom 1065 (799285 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 24, first atom 232 (175676 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 25, first atom 1070 (117617 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 26, first atom 1070 (198838 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 27, first atom 239 (135544 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 28, first atom 144 (131512 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 29, first atom 34 (114980 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 30, first atom 333 (134597 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 31, first atom 1064 (277943 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 32, first atom 114 (146012 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 33, first atom 1143 (130313 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 34, first atom 114 (145513 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 35, first atom 330 (128323 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 36, first atom 1064 (130836 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 37, first atom 1065 (153040 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 38, first atom 1064 (144792 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 39, first atom 1064 (221103 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 40, first atom 1071 (125503 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 41, first atom 1200 (223497 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 42, first atom 1070 (220433 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 43, first atom 1071 (174239 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 44, first atom 1070 (577462 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 45, first atom 1070 (469157 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 46, first atom 1037 (146166 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 47, first atom 1044 (131033 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 48, first atom 1070 (408730 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 49, first atom 1070 (248489 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 50, first atom 1077 (374977 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 51, first atom 1037 (233380 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 52, first atom 1070 (154457 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 53, first atom 1141 (417732 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 54, first atom 1179 (152898 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 55, first atom 1080 (106852 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 56, first atom 1183 (114270 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 57, first atom 1079 (126673 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 58, first atom 1085 (242179 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 59, first atom 1070 (114328 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 60, first atom 1070 (214843 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 61, first atom 1070 (170529 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1074 (179372 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 63, first atom 1074 (103218 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1308 (100607 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1075 (103342 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1341 (127452 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 67, first atom 421 (100022 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 68, first atom 1079 (337434 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 69, first atom 1245 (140980 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1079 (147015 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 71, first atom 1079 (131930 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 72, first atom 1071 (154009 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1245 (195864 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1245 (141440 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1079 (131249 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 76, first atom 1079 (141939 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1250 (114395 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1071 (110798 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 80, first atom 1046 (104922 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1377 (106901 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1380 (141678 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 86, first atom 1377 (135303 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 88, first atom 1374 (110934 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 89, first atom 1070 (101764 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1082 (101152 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1380 (108905 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1380 (104334 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1308 (101279 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 102, first atom 1378 (173468 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 111, first atom 1381 (124077 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.96 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6035 / 6097 solvent mols in 377 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42431 ms
+Warn: 30 atom(s) hit accel clamp on step 0, first atom 1078 (216271 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1241 (170699 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1240 (160847 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1371 (163590 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1470 (114168 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1474 (131069 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1679 (101473 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1679 (101470 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.54 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5926 / 6050 solvent mols in 355 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40631 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.54 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5926 / 6050 solvent mols in 350 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41170 ms
+Warn: 32 atom(s) hit accel clamp on step 0, first atom 1062 (148675 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 1, first atom 1079 (162230 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 2, first atom 1239 (114829 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1161 (122514 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1373 (201038 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 5, first atom 1239 (115066 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1373 (152852 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 8, first atom 1239 (104111 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1684 (196511 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1684 (109875 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 12, first atom 1684 (112310 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1239 (114156 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1684 (189766 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1684 (135301 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.54 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5926 / 6050 solvent mols in 367 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41641 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.54 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5926 / 6050 solvent mols in 354 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39923 ms
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 1358 (253853 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 1, first atom 1443 (116246 -> 100000)
+Warn: 264 atom(s) hit accel clamp on step 2, first atom 0 (304696 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 3, first atom 147 (145390 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 4, first atom 34 (176940 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 5, first atom 34 (126717 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 6, first atom 162 (438209 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 7, first atom 34 (111431 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 8, first atom 421 (134514 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 9, first atom 1067 (189413 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 10, first atom 29 (105111 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 11, first atom 53 (138075 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 12, first atom 1041 (107006 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 13, first atom 307 (107998 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 14, first atom 1037 (173621 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 15, first atom 415 (161569 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 16, first atom 1044 (180060 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 17, first atom 166 (129094 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 18, first atom 1074 (114983 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 19, first atom 1068 (218611 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 20, first atom 421 (189784 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 21, first atom 1067 (282758 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 22, first atom 1067 (142367 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 23, first atom 1055 (461615 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 24, first atom 1041 (331871 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 25, first atom 232 (168036 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 26, first atom 1055 (144688 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 27, first atom 1067 (349051 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 28, first atom 1067 (579395 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 29, first atom 1088 (108275 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 30, first atom 1100 (203184 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 31, first atom 1048 (112354 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 32, first atom 1067 (151536 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 33, first atom 1067 (2885209 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 34, first atom 229 (106133 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 35, first atom 1062 (102567 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 36, first atom 1074 (146670 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 37, first atom 1065 (152454 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1040 (202877 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 39, first atom 1040 (155983 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 40, first atom 1048 (113164 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 41, first atom 1099 (102294 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1228 (104720 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 43, first atom 1073 (136157 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 44, first atom 1046 (105750 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 45, first atom 1074 (351511 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 46, first atom 1067 (131152 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1083 (222040 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 48, first atom 1067 (272914 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1082 (108444 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1099 (133133 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 51, first atom 1082 (103799 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1797 (125937 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1087 (108944 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1623 (107834 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1236 (100069 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1100 (330546 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1187 (155421 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 58, first atom 1065 (169728 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1082 (242734 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1082 (117109 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1084 (160401 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1084 (130825 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1169 (152382 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1236 (137881 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1194 (120743 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1188 (106088 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1180 (124009 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1047 (125858 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1242 (101632 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1473 (246559 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1473 (106651 -> 100000)
+Warn: 298 atom(s) hit accel clamp on step 4, first atom 0 (305047 -> 100000)
+Warn: 95 atom(s) hit accel clamp on step 5, first atom 147 (183886 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 6, first atom 34 (173322 -> 100000)
+Warn: 96 atom(s) hit accel clamp on step 7, first atom 34 (132442 -> 100000)
+Warn: 92 atom(s) hit accel clamp on step 8, first atom 162 (526479 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 9, first atom 162 (134692 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 10, first atom 421 (106366 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 11, first atom 1048 (142745 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 12, first atom 309 (182324 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 13, first atom 413 (114597 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 14, first atom 410 (221304 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 15, first atom 1066 (2951273 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 16, first atom 1066 (4148435 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 17, first atom 415 (159818 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 18, first atom 48 (153905 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 19, first atom 1059 (237262 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 20, first atom 9 (344267 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 21, first atom 43 (180807 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 22, first atom 1049 (188992 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 23, first atom 1075 (280294 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 24, first atom 1049 (286123 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 25, first atom 44 (168916 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 26, first atom 1049 (118122 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 27, first atom 1053 (177906 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 28, first atom 1049 (250039 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 29, first atom 46 (136273 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 30, first atom 1069 (146842 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 31, first atom 1069 (525259 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 32, first atom 1049 (222276 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 33, first atom 1069 (103707 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 34, first atom 1069 (782758 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 35, first atom 1048 (136588 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 36, first atom 1075 (864109 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 37, first atom 1075 (465002 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 38, first atom 1042 (123145 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 39, first atom 1069 (1325565 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 40, first atom 35 (100721 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 41, first atom 1050 (119175 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 42, first atom 1069 (133812 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 43, first atom 1048 (155652 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 44, first atom 1075 (159797 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 45, first atom 1076 (140302 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 46, first atom 1051 (155700 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 47, first atom 1060 (126387 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 48, first atom 1076 (316713 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 49, first atom 1060 (122054 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 50, first atom 1065 (100819 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 51, first atom 1076 (132090 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 52, first atom 1070 (222143 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 53, first atom 35 (134152 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 54, first atom 1069 (1092585 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 55, first atom 1069 (2122720 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 56, first atom 1069 (748035 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 57, first atom 43 (142305 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 58, first atom 1069 (232409 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 59, first atom 1069 (127424 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 60, first atom 1075 (133087 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 61, first atom 53 (124884 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 62, first atom 1075 (360648 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 63, first atom 1075 (223380 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 64, first atom 1075 (246728 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1075 (409289 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 66, first atom 1075 (147805 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1201 (103775 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 68, first atom 1053 (109374 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 69, first atom 1085 (213075 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 70, first atom 1082 (119745 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 71, first atom 1226 (108314 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 72, first atom 1079 (1175950 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 73, first atom 1079 (424450 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 74, first atom 1065 (131054 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1691 (103389 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 76, first atom 1079 (341733 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1084 (112299 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 78, first atom 1069 (163297 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1072 (105031 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 81, first atom 1084 (111650 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 82, first atom 1091 (127473 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 83, first atom 1069 (106982 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1085 (128982 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1085 (134700 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 87, first atom 1077 (296612 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 88, first atom 1188 (120093 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1085 (114463 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1379 (103331 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1083 (194919 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 112, first atom 1077 (124572 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 113, first atom 1077 (121241 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1542 (336076 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1542 (108228 -> 100000)
+Warn: 317 atom(s) hit accel clamp on step 13, first atom 0 (303341 -> 100000)
+Warn: 109 atom(s) hit accel clamp on step 14, first atom 236 (105569 -> 100000)
+Warn: 84 atom(s) hit accel clamp on step 15, first atom 34 (177148 -> 100000)
+Warn: 96 atom(s) hit accel clamp on step 16, first atom 313 (173357 -> 100000)
+Warn: 87 atom(s) hit accel clamp on step 17, first atom 147 (101702 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 18, first atom 1 (151784 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 19, first atom 668 (118584 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 20, first atom 299 (137085 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 21, first atom 309 (112158 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 22, first atom 943 (146312 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 23, first atom 1049 (532777 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 24, first atom 1049 (111575 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 25, first atom 421 (159516 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 26, first atom 1042 (157354 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 27, first atom 313 (194698 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 28, first atom 884 (194926 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 29, first atom 1077 (2081692 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 30, first atom 1050 (336264 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 31, first atom 1045 (178028 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 32, first atom 1048 (618313 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 33, first atom 1048 (252901 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 34, first atom 1071 (266808 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 35, first atom 410 (157579 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 36, first atom 800 (153239 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 37, first atom 1050 (119831 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 38, first atom 1071 (121383 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 39, first atom 1050 (134304 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 40, first atom 1044 (247556 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 41, first atom 1077 (132422 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 42, first atom 1067 (157765 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 43, first atom 208 (145299 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 44, first atom 1078 (112831 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 45, first atom 1067 (213189 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 46, first atom 1071 (112729 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 47, first atom 805 (159059 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 48, first atom 1071 (170492 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 49, first atom 1071 (191416 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 50, first atom 1239 (231702 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 51, first atom 1098 (164032 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 52, first atom 1071 (204928 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 53, first atom 1071 (128251 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 54, first atom 1224 (253761 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 55, first atom 1087 (127233 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 56, first atom 1056 (130644 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 57, first atom 422 (307618 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 58, first atom 422 (299362 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 59, first atom 1088 (402731 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 60, first atom 413 (106316 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 61, first atom 1228 (132308 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 62, first atom 1044 (102597 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 63, first atom 1216 (141363 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1216 (396212 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 65, first atom 1186 (100482 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1184 (101612 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 67, first atom 1216 (321487 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 68, first atom 1182 (104317 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 69, first atom 1165 (104909 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 70, first atom 409 (133034 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 71, first atom 1219 (115579 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 72, first atom 1078 (131967 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 73, first atom 1077 (346581 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 74, first atom 1078 (328958 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 75, first atom 1077 (124199 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 76, first atom 1071 (105442 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 77, first atom 404 (128507 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 404 (116211 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 79, first atom 404 (108459 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1078 (105770 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1388 (137778 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 82, first atom 1219 (161541 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 83, first atom 1077 (101342 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 84, first atom 1388 (548237 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1384 (134591 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1390 (108385 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 88, first atom 1228 (143468 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1384 (155987 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1384 (451296 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1384 (149502 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 94, first atom 1377 (100626 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 96, first atom 1377 (376293 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1384 (305368 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 98, first atom 1384 (306062 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 99, first atom 1384 (304555 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 100, first atom 1384 (563543 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 101, first atom 411 (137442 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 102, first atom 411 (133324 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 106, first atom 1385 (572013 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 107, first atom 1551 (149219 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 108, first atom 1384 (145401 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 109, first atom 1415 (103539 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 110, first atom 1415 (105366 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 111, first atom 1384 (183197 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 117, first atom 1379 (107576 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 123, first atom 1384 (104277 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 124, first atom 1379 (123031 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 125, first atom 1378 (219153 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 127, first atom 1387 (105168 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 130, first atom 1387 (112221 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 140, first atom 1385 (119569 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 155, first atom 1385 (131860 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.94 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6034 / 6097 solvent mols in 359 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42142 ms
+Warn: 30 atom(s) hit accel clamp on step 0, first atom 1081 (400107 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 1, first atom 1081 (216086 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1243 (106904 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1374 (333528 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1374 (172537 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1374 (338261 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1374 (128823 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1676 (216856 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1676 (131810 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1676 (115264 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.53 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5925 / 6050 solvent mols in 415 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40688 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.53 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5925 / 6050 solvent mols in 355 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41012 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1458 (109073 -> 100000)
+Warn: 310 atom(s) hit accel clamp on step 1, first atom 0 (304770 -> 100000)
+Warn: 108 atom(s) hit accel clamp on step 2, first atom 147 (120851 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 3, first atom 47 (168430 -> 100000)
+Warn: 91 atom(s) hit accel clamp on step 4, first atom 47 (156132 -> 100000)
+Warn: 96 atom(s) hit accel clamp on step 5, first atom 162 (488798 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 6, first atom 34 (174123 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 7, first atom 47 (218220 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 8, first atom 946 (105230 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 9, first atom 309 (172502 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 10, first atom 315 (107671 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 11, first atom 312 (160754 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 12, first atom 311 (144209 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 13, first atom 1045 (151914 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 14, first atom 415 (160039 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 15, first atom 48 (130962 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 16, first atom 421 (136876 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 17, first atom 312 (155835 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 18, first atom 1071 (2104899 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 19, first atom 1071 (770068 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 20, first atom 1080 (257616 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 21, first atom 1071 (528211 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 22, first atom 136 (174216 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 23, first atom 136 (142725 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 24, first atom 163 (112114 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 25, first atom 414 (120062 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 26, first atom 136 (135180 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 27, first atom 1081 (103042 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 28, first atom 1081 (182246 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 29, first atom 310 (117395 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 30, first atom 168 (103739 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 31, first atom 1077 (100880 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 32, first atom 1080 (155789 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 33, first atom 1081 (213257 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 34, first atom 1072 (109977 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 35, first atom 317 (111430 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 36, first atom 1090 (124914 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 37, first atom 1080 (123342 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 38, first atom 1082 (333435 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 39, first atom 1168 (261123 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 40, first atom 1080 (356515 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 41, first atom 1091 (250074 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 42, first atom 1080 (105998 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 43, first atom 1091 (124927 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 44, first atom 1080 (252543 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 45, first atom 1080 (227704 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 46, first atom 1080 (164510 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 47, first atom 1109 (111214 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 48, first atom 1089 (207748 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 49, first atom 1080 (142324 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 50, first atom 1081 (223597 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 51, first atom 1080 (312433 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 52, first atom 1080 (128320 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1195 (111874 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1256 (104274 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 55, first atom 1074 (180460 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 56, first atom 1084 (144850 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1080 (126419 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 58, first atom 161 (101319 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 59, first atom 1255 (107589 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1080 (217954 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1199 (128861 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1069 (101676 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 63, first atom 1089 (289607 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1100 (115347 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1089 (131584 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1085 (105854 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 68, first atom 1202 (129644 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 69, first atom 1167 (104464 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1763 (169139 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1250 (299443 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1195 (136811 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1306 (110720 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1195 (113896 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1195 (111123 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1387 (144573 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1387 (156398 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1387 (174609 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1387 (129292 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1219 (155276 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1086 (114185 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1790 (116368 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1762 (100668 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1199 (105529 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1465 (109053 -> 100000)
+Warn: 314 atom(s) hit accel clamp on step 1, first atom 0 (304814 -> 100000)
+Warn: 111 atom(s) hit accel clamp on step 2, first atom 147 (116283 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 3, first atom 47 (168817 -> 100000)
+Warn: 91 atom(s) hit accel clamp on step 4, first atom 47 (155926 -> 100000)
+Warn: 96 atom(s) hit accel clamp on step 5, first atom 162 (457496 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 6, first atom 34 (170429 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 7, first atom 47 (140422 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 8, first atom 1082 (500988 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 9, first atom 298 (112283 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 10, first atom 312 (106094 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 11, first atom 369 (131940 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 12, first atom 311 (150409 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 13, first atom 1078 (214478 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 14, first atom 415 (159435 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 15, first atom 1059 (209903 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 16, first atom 48 (175367 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 17, first atom 1078 (115700 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 18, first atom 1087 (2086069 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 19, first atom 1078 (218664 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 20, first atom 1078 (326730 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 21, first atom 1079 (101363 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 22, first atom 1077 (142453 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 23, first atom 1079 (129534 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 24, first atom 1089 (2091713 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 25, first atom 56 (142620 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 26, first atom 1078 (130070 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 27, first atom 1089 (3271228 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 28, first atom 1089 (2275819 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 29, first atom 1100 (140309 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 30, first atom 1088 (315039 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 31, first atom 1084 (141687 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 32, first atom 1087 (110192 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 33, first atom 1087 (140631 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 34, first atom 1088 (109595 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 35, first atom 240 (168225 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 36, first atom 1078 (151166 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 37, first atom 1087 (103885 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 38, first atom 1089 (128905 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 39, first atom 1052 (101679 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 40, first atom 1084 (168866 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 41, first atom 1077 (100819 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 42, first atom 1099 (369934 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 43, first atom 1084 (101720 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 44, first atom 1082 (103132 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 45, first atom 1096 (116070 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 46, first atom 1097 (181410 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 47, first atom 1087 (180984 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 48, first atom 1087 (284714 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 49, first atom 1096 (107073 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 50, first atom 1090 (114678 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 51, first atom 1096 (131486 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1102 (221322 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 53, first atom 1204 (235967 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1088 (118239 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 55, first atom 1101 (145313 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 56, first atom 1087 (285339 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1101 (157789 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1266 (159418 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1358 (411988 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 60, first atom 1088 (166363 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 61, first atom 1077 (114485 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1358 (164565 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1081 (109812 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1100 (104526 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1087 (217310 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1098 (118751 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 68, first atom 1077 (163554 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 69, first atom 1182 (101044 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1263 (122068 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1098 (102117 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1695 (113470 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1096 (102319 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1261 (127605 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1098 (161058 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1098 (336456 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1098 (151432 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 99, first atom 1089 (153059 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 101, first atom 1697 (103026 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 105, first atom 1096 (109617 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 111, first atom 1096 (104807 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 116, first atom 1088 (140318 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 0, first atom 1247 (540249 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1655 (115239 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1262 (114433 -> 100000)
+Warn: 279 atom(s) hit accel clamp on step 4, first atom 0 (304989 -> 100000)
+Warn: 101 atom(s) hit accel clamp on step 5, first atom 147 (184603 -> 100000)
+Warn: 78 atom(s) hit accel clamp on step 6, first atom 34 (173405 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 7, first atom 34 (155520 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 8, first atom 162 (577252 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 9, first atom 162 (174597 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 10, first atom 47 (118450 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 11, first atom 163 (103735 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 12, first atom 1013 (113330 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 13, first atom 160 (132362 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 14, first atom 1040 (146936 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 15, first atom 669 (115767 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 16, first atom 1067 (194472 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 17, first atom 416 (165605 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 18, first atom 1046 (502481 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 19, first atom 422 (214415 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 20, first atom 9 (163298 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 21, first atom 1074 (2086493 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 22, first atom 422 (109381 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 23, first atom 234 (109255 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 24, first atom 436 (122838 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 25, first atom 1069 (116343 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 26, first atom 1083 (138725 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 27, first atom 1050 (185382 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 28, first atom 422 (206892 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 29, first atom 422 (185960 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 30, first atom 422 (192606 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 31, first atom 1068 (130608 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 32, first atom 1064 (275450 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 33, first atom 1074 (231621 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 34, first atom 1075 (2209026 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 35, first atom 1074 (105881 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 36, first atom 1069 (133374 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 37, first atom 1076 (160325 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 38, first atom 414 (199251 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 39, first atom 1069 (111042 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 40, first atom 1041 (129080 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 41, first atom 51 (206345 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 42, first atom 1076 (257654 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 43, first atom 413 (156188 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 44, first atom 1229 (118271 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1179 (118595 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 46, first atom 1100 (128367 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 47, first atom 411 (168587 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 48, first atom 1074 (291326 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 49, first atom 1047 (130469 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 50, first atom 1069 (123982 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 415 (108116 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 52, first atom 1074 (110288 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 53, first atom 1074 (145203 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 54, first atom 1074 (220357 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 55, first atom 1075 (101189 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 56, first atom 1074 (399665 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 57, first atom 35 (114642 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1074 (108445 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 59, first atom 1071 (121327 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 60, first atom 1068 (246300 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 61, first atom 1068 (302856 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 62, first atom 1068 (143459 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 63, first atom 1068 (147419 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1068 (160626 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 65, first atom 1068 (199666 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 66, first atom 1069 (115431 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 67, first atom 1053 (108770 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 68, first atom 1068 (143000 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1383 (108198 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 70, first atom 1068 (142076 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 71, first atom 1068 (114834 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 73, first atom 1074 (276371 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 74, first atom 1069 (121353 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1096 (266485 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1104 (156320 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 78, first atom 1074 (123293 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1064 (149327 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 80, first atom 1075 (144686 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1104 (100506 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1074 (153521 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 88, first atom 1069 (153399 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 89, first atom 1076 (115784 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1377 (105451 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1076 (112204 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1387 (107644 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1379 (140469 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1076 (116929 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 97, first atom 1378 (168510 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1458 (109073 -> 100000)
+Warn: 312 atom(s) hit accel clamp on step 1, first atom 0 (304785 -> 100000)
+Warn: 108 atom(s) hit accel clamp on step 2, first atom 147 (120141 -> 100000)
+Warn: 83 atom(s) hit accel clamp on step 3, first atom 47 (169091 -> 100000)
+Warn: 87 atom(s) hit accel clamp on step 4, first atom 47 (156585 -> 100000)
+Warn: 97 atom(s) hit accel clamp on step 5, first atom 162 (453811 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 6, first atom 33 (155640 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 7, first atom 47 (149949 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 8, first atom 1075 (227198 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 9, first atom 309 (147542 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 10, first atom 312 (130145 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 11, first atom 312 (130181 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 12, first atom 311 (149244 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 13, first atom 1044 (118929 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 14, first atom 159 (355917 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 15, first atom 1094 (117574 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 16, first atom 1047 (141964 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 17, first atom 48 (170632 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 18, first atom 312 (127237 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 19, first atom 1080 (225863 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 20, first atom 1072 (104552 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 21, first atom 1071 (112942 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 22, first atom 1074 (116048 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 23, first atom 1082 (197152 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 24, first atom 159 (174425 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 25, first atom 1048 (118561 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 26, first atom 1089 (142014 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 27, first atom 1082 (166920 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 28, first atom 1077 (101137 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 29, first atom 1077 (134369 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 30, first atom 1074 (518648 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 31, first atom 1074 (703578 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 32, first atom 1070 (170311 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 33, first atom 1083 (217790 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 34, first atom 1080 (103427 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 35, first atom 1081 (230739 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 36, first atom 1081 (289344 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 37, first atom 1080 (103486 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 38, first atom 1093 (118284 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 39, first atom 1091 (114649 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 40, first atom 1081 (277191 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 41, first atom 34 (180829 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 42, first atom 1081 (832489 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 43, first atom 1090 (114194 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 44, first atom 1075 (204340 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 45, first atom 1082 (114883 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 46, first atom 1091 (433788 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 47, first atom 1074 (167017 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 48, first atom 1075 (293582 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 49, first atom 1071 (187305 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 50, first atom 1075 (487539 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 51, first atom 1070 (119514 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1075 (145716 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 53, first atom 35 (129676 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 54, first atom 1093 (1604127 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 55, first atom 1075 (146903 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 56, first atom 1080 (102689 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 57, first atom 1074 (115781 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 58, first atom 1076 (100766 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1090 (123843 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 60, first atom 1088 (293977 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 61, first atom 1100 (111275 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 62, first atom 1080 (118752 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 63, first atom 1075 (218091 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 64, first atom 1075 (103126 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1080 (293698 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 66, first atom 1193 (128641 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1193 (137034 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1075 (101460 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1788 (101308 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 71, first atom 1069 (108601 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1790 (122517 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1085 (109420 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1790 (189104 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1790 (196029 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1081 (105379 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1790 (250972 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1395 (107251 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1790 (108965 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1167 (112958 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 106, first atom 1091 (199056 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.87 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6032 / 6095 solvent mols in 363 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41877 ms
+Warn: 35 atom(s) hit accel clamp on step 0, first atom 1045 (176486 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 1, first atom 1088 (241982 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1250 (137498 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1381 (302327 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1381 (149786 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1683 (118276 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.46 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5923 / 6048 solvent mols in 375 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40801 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.46 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5923 / 6048 solvent mols in 360 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41133 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1831 (169238 -> 100000)
+Warn: 311 atom(s) hit accel clamp on step 5, first atom 0 (304869 -> 100000)
+Warn: 106 atom(s) hit accel clamp on step 6, first atom 147 (226301 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 7, first atom 34 (172928 -> 100000)
+Warn: 103 atom(s) hit accel clamp on step 8, first atom 34 (153218 -> 100000)
+Warn: 97 atom(s) hit accel clamp on step 9, first atom 162 (580890 -> 100000)
+Warn: 81 atom(s) hit accel clamp on step 10, first atom 34 (100709 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 11, first atom 1057 (155845 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 12, first atom 125 (286362 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 13, first atom 124 (160595 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 14, first atom 160 (184559 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 15, first atom 135 (196636 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 16, first atom 895 (118542 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 17, first atom 421 (100259 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 18, first atom 310 (105875 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 19, first atom 167 (113154 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 20, first atom 168 (322578 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 21, first atom 1093 (439477 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 22, first atom 158 (263816 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 23, first atom 46 (116851 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 24, first atom 158 (260828 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 25, first atom 158 (162531 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 26, first atom 1093 (140405 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 27, first atom 161 (190027 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 28, first atom 161 (180602 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 29, first atom 161 (154817 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 30, first atom 1088 (158306 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 31, first atom 1100 (218588 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 32, first atom 1084 (828780 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 33, first atom 1083 (127170 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 34, first atom 1065 (197005 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 35, first atom 1104 (120190 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 36, first atom 1088 (152189 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 37, first atom 1088 (103716 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 38, first atom 1093 (182997 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 39, first atom 1088 (129034 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 40, first atom 1088 (138035 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 41, first atom 161 (128439 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 42, first atom 1088 (120167 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 43, first atom 1088 (419702 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 44, first atom 1088 (198892 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 45, first atom 1190 (106603 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 46, first atom 1066 (155677 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 47, first atom 1088 (105150 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 48, first atom 1068 (131267 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 49, first atom 1066 (116532 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 50, first atom 1066 (147246 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 51, first atom 1066 (172197 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 52, first atom 1207 (558509 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1259 (104955 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 54, first atom 1066 (107654 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 55, first atom 1096 (470001 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 56, first atom 1066 (128293 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 57, first atom 1206 (105786 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 58, first atom 1102 (119919 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 59, first atom 1109 (157192 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 60, first atom 1095 (156955 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1209 (146099 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 62, first atom 1206 (207401 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1209 (180154 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1209 (178827 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 65, first atom 1182 (159118 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1202 (102827 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 67, first atom 1202 (115499 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1208 (242531 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 69, first atom 1094 (103777 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 70, first atom 1208 (342747 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1208 (170416 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 72, first atom 1093 (154356 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 73, first atom 1093 (127321 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 74, first atom 1208 (361175 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 75, first atom 1207 (2075685 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 76, first atom 1087 (145387 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1207 (179120 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 78, first atom 1087 (121150 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1087 (125878 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1107 (512420 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 82, first atom 1093 (113438 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1210 (141641 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1087 (111294 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1206 (148518 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1206 (106545 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1233 (122019 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1209 (111384 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 100, first atom 1224 (122009 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 101, first atom 1216 (123508 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 103, first atom 1223 (107010 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 104, first atom 1216 (125912 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1826 (155658 -> 100000)
+Warn: 315 atom(s) hit accel clamp on step 1, first atom 0 (304886 -> 100000)
+Warn: 113 atom(s) hit accel clamp on step 2, first atom 147 (119035 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 3, first atom 47 (169074 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 4, first atom 47 (156832 -> 100000)
+Warn: 98 atom(s) hit accel clamp on step 5, first atom 162 (475581 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 6, first atom 33 (122691 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 7, first atom 421 (108316 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 8, first atom 946 (100062 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 9, first atom 309 (156965 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 10, first atom 312 (141223 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 11, first atom 1053 (104741 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 12, first atom 311 (147766 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 13, first atom 1051 (123686 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 14, first atom 415 (157573 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 15, first atom 1058 (133665 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 16, first atom 166 (133157 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 17, first atom 9 (191874 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 18, first atom 312 (105520 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 19, first atom 163 (154192 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 20, first atom 1088 (123489 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 21, first atom 1089 (557715 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 22, first atom 156 (125322 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 23, first atom 1087 (170145 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 24, first atom 1087 (118280 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 25, first atom 1065 (158108 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 26, first atom 1082 (271082 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 27, first atom 1062 (130659 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 28, first atom 1089 (130392 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 29, first atom 1089 (108990 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 30, first atom 1062 (141450 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 31, first atom 44 (171671 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 32, first atom 34 (196466 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 33, first atom 34 (183591 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 34, first atom 1062 (133638 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 35, first atom 1087 (417993 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 36, first atom 1081 (136804 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 37, first atom 43 (144624 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 38, first atom 1082 (108217 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 39, first atom 1084 (200894 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 40, first atom 1084 (777575 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 41, first atom 35 (282362 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 42, first atom 1084 (255014 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 43, first atom 1081 (589416 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 44, first atom 1081 (476642 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 45, first atom 1081 (266049 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 46, first atom 1081 (303172 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 47, first atom 1081 (116073 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 48, first atom 1081 (101208 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 49, first atom 1081 (114566 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 50, first atom 1081 (1306692 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 51, first atom 1054 (214283 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 52, first atom 1054 (148125 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 53, first atom 1065 (125757 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 54, first atom 1088 (374230 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 55, first atom 414 (177620 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 56, first atom 1065 (101151 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 57, first atom 1081 (108872 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1087 (146536 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 59, first atom 1064 (117686 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 60, first atom 1088 (2068301 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 61, first atom 1076 (104483 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 62, first atom 1076 (184072 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 63, first atom 1087 (2235104 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 64, first atom 1081 (181083 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1203 (129285 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1261 (144315 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1087 (150168 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 68, first atom 1066 (101866 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1771 (101334 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 70, first atom 1089 (109715 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1771 (109536 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1081 (108307 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1098 (109099 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1108 (111944 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1097 (126208 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 78, first atom 1089 (724413 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1098 (164758 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1081 (107590 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 82, first atom 1077 (143206 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 83, first atom 1077 (131223 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 84, first atom 1098 (247313 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1703 (110323 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1088 (127413 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 89, first atom 1703 (115710 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1087 (136464 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1097 (185422 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 103, first atom 1100 (121725 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 107, first atom 1398 (123987 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 0, first atom 1254 (170846 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1662 (111004 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1664 (116871 -> 100000)
+Warn: 288 atom(s) hit accel clamp on step 5, first atom 0 (305040 -> 100000)
+Warn: 97 atom(s) hit accel clamp on step 6, first atom 135 (115536 -> 100000)
+Warn: 78 atom(s) hit accel clamp on step 7, first atom 34 (173818 -> 100000)
+Warn: 81 atom(s) hit accel clamp on step 8, first atom 34 (153782 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 9, first atom 162 (602762 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 10, first atom 162 (171841 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 11, first atom 135 (107663 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 12, first atom 431 (124485 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 13, first atom 1020 (174419 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 14, first atom 414 (111929 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 15, first atom 34 (369814 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 16, first atom 1046 (131817 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 17, first atom 422 (155449 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 18, first atom 416 (143702 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 19, first atom 871 (118862 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 20, first atom 9 (115567 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 21, first atom 896 (143243 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 22, first atom 35 (102217 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 23, first atom 35 (120493 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 24, first atom 887 (136469 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 25, first atom 160 (184425 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 26, first atom 1074 (158997 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 27, first atom 1053 (153141 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 28, first atom 136 (114798 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 29, first atom 1053 (117076 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 30, first atom 1075 (105417 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 31, first atom 1094 (178380 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 32, first atom 1055 (243394 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 33, first atom 1075 (257706 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 34, first atom 1075 (298085 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 35, first atom 1076 (145223 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 36, first atom 899 (127183 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 37, first atom 1052 (142468 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 38, first atom 1075 (355542 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 39, first atom 1049 (837022 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 40, first atom 1049 (103944 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 41, first atom 1081 (392056 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 42, first atom 1101 (217707 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 43, first atom 1090 (121432 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 44, first atom 404 (173107 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 45, first atom 887 (128090 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 46, first atom 598 (348239 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 47, first atom 1082 (212263 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 48, first atom 887 (133876 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 49, first atom 1075 (132441 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 50, first atom 587 (105389 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 51, first atom 1103 (123990 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 52, first atom 775 (190620 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 53, first atom 887 (192163 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 54, first atom 1082 (104999 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 55, first atom 1081 (178984 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 56, first atom 1092 (189073 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 57, first atom 1091 (123449 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1168 (133123 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 59, first atom 1102 (123089 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 60, first atom 1081 (117804 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 61, first atom 1083 (326943 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 62, first atom 452 (226671 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 63, first atom 1161 (133788 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 64, first atom 579 (162225 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 65, first atom 1057 (124377 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 66, first atom 1068 (102163 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 67, first atom 1054 (105277 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 68, first atom 1106 (208304 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 69, first atom 1055 (117650 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 70, first atom 1059 (163023 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 71, first atom 1059 (118192 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 72, first atom 1107 (102350 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 73, first atom 1058 (174122 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 74, first atom 1194 (131969 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 75, first atom 1059 (153911 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 76, first atom 1058 (120510 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 77, first atom 1057 (185784 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 78, first atom 1112 (151590 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 79, first atom 1112 (449770 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 80, first atom 80 (126673 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 81, first atom 1112 (302191 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 82, first atom 1112 (126449 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 83, first atom 1063 (111819 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 84, first atom 1445 (453280 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 85, first atom 1100 (141298 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 86, first atom 569 (107476 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 87, first atom 1378 (152144 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 88, first atom 12 (234215 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 89, first atom 964 (259579 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 90, first atom 1080 (360250 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 91, first atom 1080 (185853 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 92, first atom 1078 (807102 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 93, first atom 419 (350029 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 94, first atom 270 (104537 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 95, first atom 1056 (520295 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 96, first atom 152 (108925 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 97, first atom 274 (121696 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 98, first atom 592 (190996 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 99, first atom 321 (258976 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 100, first atom 1058 (111133 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 101, first atom 321 (100415 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 102, first atom 460 (347262 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 103, first atom 1057 (119959 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 104, first atom 447 (345479 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 105, first atom 1067 (163614 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 106, first atom 1046 (132887 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 107, first atom 1046 (335285 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 108, first atom 1046 (338038 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 109, first atom 447 (113519 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 110, first atom 715 (191859 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 111, first atom 1046 (104425 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 112, first atom 396 (115270 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 113, first atom 1047 (178885 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 114, first atom 176 (293681 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 115, first atom 176 (119186 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 116, first atom 1 (171825 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 117, first atom 713 (100658 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 118, first atom 872 (117478 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 119, first atom 517 (102630 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 120, first atom 973 (262217 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 121, first atom 1055 (282271 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 122, first atom 738 (221660 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 123, first atom 641 (351819 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 124, first atom 1054 (115654 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 125, first atom 448 (126681 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 126, first atom 1053 (818960 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 127, first atom 6 (129894 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 128, first atom 944 (333325 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 129, first atom 104 (155004 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 130, first atom 157 (171222 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 131, first atom 146 (118226 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 132, first atom 84 (263226 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 133, first atom 345 (116128 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 134, first atom 352 (141988 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 135, first atom 381 (292223 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 136, first atom 606 (120754 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 137, first atom 154 (197884 -> 100000)
+Warn: 96 atom(s) hit accel clamp on step 138, first atom 227 (259082 -> 100000)
+Warn: 91 atom(s) hit accel clamp on step 139, first atom 479 (259446 -> 100000)
+Warn: 130 atom(s) hit accel clamp on step 140, first atom 68 (346772 -> 100000)
+Warn: 144 atom(s) hit accel clamp on step 141, first atom 7 (279735 -> 100000)
+Warn: 119 atom(s) hit accel clamp on step 142, first atom 7 (165669 -> 100000)
+Warn: 153 atom(s) hit accel clamp on step 143, first atom 176 (302102 -> 100000)
+Warn: 142 atom(s) hit accel clamp on step 144, first atom 69 (146476 -> 100000)
+Warn: 148 atom(s) hit accel clamp on step 145, first atom 66 (101531 -> 100000)
+Warn: 143 atom(s) hit accel clamp on step 146, first atom 77 (276908 -> 100000)
+Warn: 170 atom(s) hit accel clamp on step 147, first atom 77 (113722 -> 100000)
+Warn: 180 atom(s) hit accel clamp on step 148, first atom 18 (171113 -> 100000)
+Warn: 190 atom(s) hit accel clamp on step 149, first atom 1 (128448 -> 100000)
+Warn: 222 atom(s) hit accel clamp on step 150, first atom 54 (348596 -> 100000)
+Warn: 241 atom(s) hit accel clamp on step 151, first atom 1 (334158 -> 100000)
+Warn: 278 atom(s) hit accel clamp on step 152, first atom 78 (102855 -> 100000)
+Warn: 295 atom(s) hit accel clamp on step 153, first atom 5 (252137 -> 100000)
+Warn: 306 atom(s) hit accel clamp on step 154, first atom 94 (120222 -> 100000)
+Warn: 346 atom(s) hit accel clamp on step 155, first atom 102 (188620 -> 100000)
+Warn: 383 atom(s) hit accel clamp on step 156, first atom 73 (138803 -> 100000)
+Warn: 409 atom(s) hit accel clamp on step 157, first atom 13 (327264 -> 100000)
+Warn: 408 atom(s) hit accel clamp on step 158, first atom 15 (260483 -> 100000)
+Warn: 431 atom(s) hit accel clamp on step 159, first atom 13 (106912 -> 100000)
+Warn: 497 atom(s) hit accel clamp on step 160, first atom 67 (129466 -> 100000)
+Warn: 525 atom(s) hit accel clamp on step 161, first atom 6 (128664 -> 100000)
+Warn: 580 atom(s) hit accel clamp on step 162, first atom 9 (360385 -> 100000)
+Warn: 688 atom(s) hit accel clamp on step 163, first atom 0 (144520 -> 100000)
+Warn: 683 atom(s) hit accel clamp on step 164, first atom 4 (337764 -> 100000)
+Warn: 727 atom(s) hit accel clamp on step 165, first atom 7 (387300 -> 100000)
+Warn: 793 atom(s) hit accel clamp on step 166, first atom 0 (294292 -> 100000)
+Warn: 810 atom(s) hit accel clamp on step 167, first atom 11 (246401 -> 100000)
+Warn: 878 atom(s) hit accel clamp on step 168, first atom 5 (320986 -> 100000)
+Warn: 917 atom(s) hit accel clamp on step 169, first atom 1 (153149 -> 100000)
+Warn: 993 atom(s) hit accel clamp on step 170, first atom 2 (365786 -> 100000)
+Warn: 1026 atom(s) hit accel clamp on step 171, first atom 2 (147599 -> 100000)
+Warn: 1078 atom(s) hit accel clamp on step 172, first atom 0 (298924 -> 100000)
+Warn: 1134 atom(s) hit accel clamp on step 173, first atom 1 (350083 -> 100000)
+Warn: 1154 atom(s) hit accel clamp on step 174, first atom 2 (549698 -> 100000)
+Warn: 1177 atom(s) hit accel clamp on step 175, first atom 2 (102006 -> 100000)
+Warn: 1258 atom(s) hit accel clamp on step 176, first atom 2 (124043 -> 100000)
+Warn: 1229 atom(s) hit accel clamp on step 177, first atom 1 (270841 -> 100000)
+Warn: 1244 atom(s) hit accel clamp on step 178, first atom 1 (301855 -> 100000)
+Warn: 1295 atom(s) hit accel clamp on step 179, first atom 1 (315328 -> 100000)
+Warn: 1302 atom(s) hit accel clamp on step 180, first atom 0 (300133 -> 100000)
+Warn: 1312 atom(s) hit accel clamp on step 181, first atom 2 (164107 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 1242 (570600 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1572 (117158 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1572 (120356 -> 100000)
+Warn: 285 atom(s) hit accel clamp on step 3, first atom 0 (302884 -> 100000)
+Warn: 99 atom(s) hit accel clamp on step 4, first atom 147 (163491 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 5, first atom 34 (175111 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 6, first atom 47 (151946 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 7, first atom 162 (554416 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 8, first atom 162 (181240 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 9, first atom 421 (105093 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 10, first atom 430 (106810 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 11, first atom 309 (179271 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 12, first atom 312 (115169 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 13, first atom 35 (128685 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 14, first atom 307 (134281 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 15, first atom 65 (166385 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 16, first atom 415 (161191 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 17, first atom 1070 (105298 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 18, first atom 165 (111284 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 19, first atom 1074 (130254 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 20, first atom 65 (100387 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 21, first atom 1075 (116732 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 22, first atom 158 (131812 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 23, first atom 47 (361436 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 24, first atom 1080 (112338 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 25, first atom 1075 (944869 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 26, first atom 277 (121904 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 27, first atom 1090 (149508 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 28, first atom 421 (198149 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 29, first atom 1065 (102302 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 30, first atom 1083 (131351 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 31, first atom 1100 (109202 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 32, first atom 1074 (114384 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 33, first atom 414 (133647 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 34, first atom 136 (163181 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 35, first atom 1095 (148717 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 36, first atom 1080 (171397 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 37, first atom 43 (158533 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 38, first atom 1082 (359309 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 39, first atom 1082 (421685 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 40, first atom 1082 (137762 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 41, first atom 1082 (214903 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 42, first atom 1087 (198382 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 43, first atom 1087 (167949 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 44, first atom 1085 (105089 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 45, first atom 1094 (131075 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 46, first atom 1080 (125424 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 47, first atom 1080 (250599 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 48, first atom 1086 (192458 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 49, first atom 1090 (136961 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 50, first atom 1080 (282912 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 51, first atom 1080 (160609 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 52, first atom 1089 (144868 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 53, first atom 1075 (323461 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 54, first atom 1094 (656276 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 55, first atom 1075 (966415 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 56, first atom 1075 (392695 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1100 (122353 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 58, first atom 1080 (209984 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 59, first atom 1075 (261906 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 60, first atom 1075 (137837 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 61, first atom 1160 (173268 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1198 (113850 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 63, first atom 1197 (116263 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1169 (149332 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1381 (180894 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 67, first atom 1081 (120765 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 68, first atom 1088 (112829 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1381 (156181 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 70, first atom 1383 (168608 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1081 (152581 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 72, first atom 1082 (245857 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1780 (105476 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1167 (118902 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1381 (108477 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1191 (129284 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 77, first atom 1196 (132322 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1783 (100488 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1167 (114293 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1191 (108958 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 84, first atom 1091 (162488 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 86, first atom 1193 (110955 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1106 (198150 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 89, first atom 1193 (202125 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1780 (113906 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 95, first atom 1075 (174855 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.73 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6026 / 6090 solvent mols in 370 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42618 ms
+Warn: 35 atom(s) hit accel clamp on step 0, first atom 1084 (141866 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 1, first atom 1101 (234370 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1263 (207746 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 3, first atom 1254 (118642 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1394 (201604 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1394 (296554 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1394 (127159 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1695 (318819 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1695 (127389 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1695 (124659 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1695 (106143 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 17, first atom 1695 (148820 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1695 (100045 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.64 Cell vol: 207.09 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.92 Å
+Added 6033 / 6087 solvent mols in 364 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41246 ms
+Initializing solvent molecules...
+Solvent-free vol: 182.64 Cell vol: 207.09 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.92 Å
+Added 6033 / 6087 solvent mols in 362 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42960 ms
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1092 (1507162 -> 100000)
+Warn: 272 atom(s) hit accel clamp on step 1, first atom 0 (304446 -> 100000)
+Warn: 97 atom(s) hit accel clamp on step 2, first atom 307 (276567 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 3, first atom 316 (138025 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 4, first atom 807 (149314 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 5, first atom 0 (1569199 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 6, first atom 162 (188771 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 7, first atom 989 (251854 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 8, first atom 1127 (238367 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 9, first atom 309 (176897 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 10, first atom 312 (103351 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 11, first atom 312 (268861 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 12, first atom 317 (117253 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 13, first atom 1091 (112003 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 14, first atom 415 (167757 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 15, first atom 244 (119907 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 16, first atom 421 (209904 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 17, first atom 1214 (143802 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 18, first atom 1003 (144101 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 19, first atom 414 (123006 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 20, first atom 1104 (173154 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 21, first atom 1105 (442041 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 22, first atom 239 (112990 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 23, first atom 1120 (104102 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 24, first atom 1108 (158047 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 25, first atom 1108 (137310 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 26, first atom 413 (168302 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 27, first atom 1104 (128519 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 28, first atom 1116 (103601 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 29, first atom 1263 (131715 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 30, first atom 1109 (109259 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 31, first atom 1192 (123457 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 32, first atom 419 (116812 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 33, first atom 1122 (123628 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 34, first atom 1063 (116242 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 35, first atom 413 (179314 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 36, first atom 1063 (110676 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 37, first atom 1110 (117107 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 38, first atom 1213 (162197 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 39, first atom 317 (164633 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 40, first atom 1214 (521422 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 41, first atom 417 (104767 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 42, first atom 1114 (184755 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 43, first atom 313 (104521 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 44, first atom 1003 (129565 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 45, first atom 1232 (206618 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 46, first atom 1258 (136936 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 47, first atom 1110 (252550 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 48, first atom 1110 (212515 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 49, first atom 1180 (110830 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 50, first atom 1251 (113792 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1329 (132152 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1404 (400643 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 53, first atom 1325 (113876 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 54, first atom 1324 (138129 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1063 (106310 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 56, first atom 1109 (167677 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 57, first atom 1109 (138058 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1410 (102450 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 59, first atom 1324 (179175 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1410 (263219 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1410 (119135 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 62, first atom 1414 (167638 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1866 (238425 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1410 (105258 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1876 (100002 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1410 (111750 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1858 (105180 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1858 (117725 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1889 (130568 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1326 (229695 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1411 (179217 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 72, first atom 1411 (173157 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 73, first atom 1412 (219559 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 74, first atom 1411 (2111578 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 75, first atom 1411 (2101498 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 76, first atom 1218 (101014 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1411 (145459 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 79, first atom 1425 (157231 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1867 (105113 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 87, first atom 1410 (100860 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 88, first atom 1860 (103048 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1860 (583763 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1860 (193161 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1420 (105074 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1866 (123217 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1857 (100552 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1328 (101959 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 101, first atom 1414 (115973 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 102, first atom 1866 (142191 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 105, first atom 1414 (118654 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 113, first atom 1865 (123275 -> 100000)
+Warn: 343 atom(s) hit accel clamp on step 11, first atom 0 (306807 -> 100000)
+Warn: 124 atom(s) hit accel clamp on step 12, first atom 1 (169822 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 13, first atom 34 (177697 -> 100000)
+Warn: 104 atom(s) hit accel clamp on step 14, first atom 12 (103218 -> 100000)
+Warn: 103 atom(s) hit accel clamp on step 15, first atom 232 (155114 -> 100000)
+Warn: 78 atom(s) hit accel clamp on step 16, first atom 302 (175060 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 17, first atom 298 (175597 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 18, first atom 299 (171431 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 19, first atom 204 (104491 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 20, first atom 309 (177991 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 21, first atom 431 (104218 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 22, first atom 1064 (173946 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 23, first atom 421 (101782 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 24, first atom 1089 (970910 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 25, first atom 1060 (168675 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 26, first atom 9 (114751 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 27, first atom 1087 (191499 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 28, first atom 1085 (303371 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 29, first atom 1067 (122207 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 30, first atom 1066 (176511 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 31, first atom 200 (171252 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 32, first atom 50 (164120 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 33, first atom 1088 (102261 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 34, first atom 1090 (192294 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 35, first atom 1090 (559885 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 36, first atom 1089 (272278 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 37, first atom 1096 (117562 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 38, first atom 1084 (118782 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 39, first atom 1095 (107787 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 40, first atom 1105 (178454 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 41, first atom 233 (168747 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 42, first atom 1061 (113820 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 43, first atom 1085 (358423 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 44, first atom 1089 (324696 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 45, first atom 1085 (205216 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 46, first atom 1100 (108586 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 47, first atom 1095 (278628 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 48, first atom 232 (157360 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 49, first atom 1095 (152575 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 50, first atom 1095 (191551 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 51, first atom 1099 (235782 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 52, first atom 1070 (137171 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 53, first atom 1070 (108273 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 54, first atom 1095 (219947 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 55, first atom 1069 (121185 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 56, first atom 1105 (263976 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 57, first atom 1095 (133745 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 58, first atom 1105 (943021 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 59, first atom 1070 (131842 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 60, first atom 1095 (119625 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 61, first atom 1104 (236640 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 62, first atom 1095 (151206 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 63, first atom 1095 (178485 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1110 (108730 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1236 (170674 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 66, first atom 1106 (137121 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 67, first atom 1096 (302241 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 68, first atom 1084 (123655 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 69, first atom 1209 (131590 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 70, first atom 1084 (112725 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 71, first atom 1110 (136621 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 72, first atom 1208 (226936 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 73, first atom 1090 (105328 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 74, first atom 1095 (159219 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1694 (107869 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1095 (252240 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 77, first atom 1095 (193279 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1115 (102356 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 81, first atom 1115 (110368 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 82, first atom 1095 (138337 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 83, first atom 1104 (116911 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1115 (100626 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 85, first atom 1095 (103850 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 86, first atom 1104 (158947 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 87, first atom 1096 (174356 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1104 (137883 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1260 (106292 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 90, first atom 1200 (172219 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1236 (116680 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 92, first atom 1124 (121340 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1254 (130355 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1254 (120585 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1124 (115991 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 97, first atom 1209 (242717 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 106, first atom 1706 (106745 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 107, first atom 1104 (113969 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 112, first atom 1104 (101959 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.72 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6027 / 6090 solvent mols in 378 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41974 ms
+Warn: 32 atom(s) hit accel clamp on step 0, first atom 1090 (193523 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 1, first atom 1107 (145180 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 2, first atom 1098 (113501 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 3, first atom 1098 (110563 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1400 (497179 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 5, first atom 1260 (122399 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1702 (245977 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 11, first atom 1260 (103453 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1702 (127863 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.31 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5918 / 6042 solvent mols in 369 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41152 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.31 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5918 / 6042 solvent mols in 372 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40829 ms
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1894 (213274 -> 100000)
+Warn: 340 atom(s) hit accel clamp on step 10, first atom 0 (305509 -> 100000)
+Warn: 138 atom(s) hit accel clamp on step 11, first atom 135 (107826 -> 100000)
+Warn: 106 atom(s) hit accel clamp on step 12, first atom 34 (176644 -> 100000)
+Warn: 124 atom(s) hit accel clamp on step 13, first atom 12 (163578 -> 100000)
+Warn: 104 atom(s) hit accel clamp on step 14, first atom 395 (134079 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 15, first atom 302 (124487 -> 100000)
+Warn: 78 atom(s) hit accel clamp on step 16, first atom 503 (120154 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 17, first atom 299 (124868 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 18, first atom 208 (143310 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 19, first atom 208 (230186 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 20, first atom 1070 (284499 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 21, first atom 1070 (205832 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 22, first atom 414 (143742 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 23, first atom 927 (292688 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 24, first atom 764 (144416 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 25, first atom 1073 (105785 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 26, first atom 1075 (118219 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 27, first atom 506 (183981 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 28, first atom 309 (129228 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 29, first atom 775 (133465 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 30, first atom 1076 (658327 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 31, first atom 46 (219826 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 32, first atom 1073 (108084 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 33, first atom 1073 (115235 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 34, first atom 503 (163353 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 35, first atom 204 (267690 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 36, first atom 503 (198877 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 37, first atom 939 (345790 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 38, first atom 661 (113935 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 39, first atom 766 (167917 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 40, first atom 1068 (176942 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 41, first atom 1073 (313968 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 42, first atom 1073 (113571 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 43, first atom 45 (142941 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 44, first atom 1073 (197750 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 45, first atom 1073 (109256 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 46, first atom 1101 (152049 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 47, first atom 1135 (488807 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 48, first atom 1073 (109761 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 49, first atom 763 (103091 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 50, first atom 1093 (111115 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 51, first atom 1109 (109481 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 52, first atom 1073 (159293 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 53, first atom 1109 (230937 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 54, first atom 1101 (436939 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 55, first atom 1073 (111142 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 56, first atom 1076 (176167 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 57, first atom 1100 (147388 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 58, first atom 926 (115381 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 59, first atom 1067 (117941 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 60, first atom 1101 (313943 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 61, first atom 765 (139070 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 62, first atom 1095 (127362 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 63, first atom 1111 (108783 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 64, first atom 1494 (148283 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 65, first atom 1204 (104872 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 66, first atom 1109 (223584 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 67, first atom 1068 (114138 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 68, first atom 1095 (110683 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 69, first atom 1111 (121179 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 70, first atom 1569 (167620 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 71, first atom 1094 (130886 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 72, first atom 1094 (163788 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 73, first atom 1094 (172416 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 74, first atom 1101 (152669 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 75, first atom 1094 (388125 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 76, first atom 1109 (113658 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 77, first atom 1100 (195508 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 78, first atom 1100 (103877 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 79, first atom 1649 (124601 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 80, first atom 1100 (343034 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 81, first atom 1242 (124918 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1100 (216402 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 83, first atom 1242 (114627 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 84, first atom 1094 (491001 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 85, first atom 1230 (111826 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 86, first atom 1094 (125795 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 87, first atom 1094 (362153 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 88, first atom 1094 (142025 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 89, first atom 1230 (131813 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 90, first atom 1100 (137248 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 91, first atom 1242 (106027 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 92, first atom 1216 (122863 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1681 (168884 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1407 (108424 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 96, first atom 1216 (111635 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 101, first atom 1259 (124946 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 118, first atom 1693 (105305 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 120, first atom 1693 (163530 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 123, first atom 1275 (145784 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 140, first atom 1681 (131599 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1241 (100574 -> 100000)
+Warn: 307 atom(s) hit accel clamp on step 1, first atom 0 (302902 -> 100000)
+Warn: 121 atom(s) hit accel clamp on step 2, first atom 147 (115637 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 3, first atom 47 (168445 -> 100000)
+Warn: 93 atom(s) hit accel clamp on step 4, first atom 47 (156018 -> 100000)
+Warn: 81 atom(s) hit accel clamp on step 5, first atom 162 (460563 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 6, first atom 162 (172674 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 7, first atom 47 (135661 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 8, first atom 208 (215205 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 9, first atom 309 (169703 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 10, first atom 135 (113037 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 11, first atom 762 (159614 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 12, first atom 310 (112472 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 13, first atom 430 (114432 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 14, first atom 415 (158228 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 15, first atom 764 (104474 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 16, first atom 421 (171689 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 17, first atom 1094 (146934 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 18, first atom 1003 (142913 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 19, first atom 612 (306773 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 20, first atom 1100 (141268 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 21, first atom 48 (103978 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 22, first atom 1101 (2106676 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 23, first atom 926 (101933 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 24, first atom 1105 (184589 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 25, first atom 1109 (401025 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 26, first atom 1096 (324376 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 27, first atom 1096 (174251 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 28, first atom 1014 (110664 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 29, first atom 1093 (139007 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 30, first atom 53 (131131 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 31, first atom 817 (236213 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 32, first atom 940 (298449 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 33, first atom 160 (102674 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 34, first atom 1072 (109873 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 35, first atom 1100 (163271 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 36, first atom 1101 (449487 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 37, first atom 1100 (2050512 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 38, first atom 943 (102185 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 39, first atom 1100 (340139 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 40, first atom 943 (317243 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 41, first atom 1072 (106937 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 42, first atom 1109 (533272 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 43, first atom 1109 (796353 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 44, first atom 1109 (141118 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 45, first atom 1109 (184460 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 46, first atom 1099 (126080 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 47, first atom 1094 (128084 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 48, first atom 1109 (103904 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 49, first atom 1109 (241789 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 50, first atom 1108 (111253 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 51, first atom 1093 (388026 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 52, first atom 770 (103319 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 53, first atom 1108 (214834 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 54, first atom 1108 (122291 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 55, first atom 1108 (139390 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 56, first atom 1108 (354535 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 57, first atom 1109 (162561 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 58, first atom 1108 (681815 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 59, first atom 1108 (308452 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 60, first atom 1115 (515752 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 61, first atom 1108 (129009 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 62, first atom 1108 (120289 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 63, first atom 1101 (104680 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1401 (248009 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1800 (186911 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 66, first atom 1213 (107761 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1848 (114406 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 68, first atom 1838 (285824 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1838 (129037 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 70, first atom 1216 (258941 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 71, first atom 1221 (146425 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1673 (142836 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1119 (196795 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 74, first atom 1093 (179390 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1854 (130672 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1854 (145582 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1119 (112703 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 78, first atom 1109 (116121 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 80, first atom 1093 (116239 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 82, first atom 1093 (125542 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 83, first atom 1099 (169240 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 84, first atom 1100 (118361 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1099 (103699 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1214 (109356 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 87, first atom 1846 (145448 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 90, first atom 1094 (128481 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 91, first atom 1119 (114116 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 95, first atom 1099 (118225 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 97, first atom 1099 (118582 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 98, first atom 1101 (159763 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 100, first atom 1099 (177424 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 101, first atom 1675 (155514 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 104, first atom 1785 (103589 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 106, first atom 1099 (101379 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 109, first atom 1099 (105890 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 111, first atom 1803 (105196 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 112, first atom 1099 (101345 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1894 (212891 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1894 (100492 -> 100000)
+Warn: 345 atom(s) hit accel clamp on step 10, first atom 0 (306324 -> 100000)
+Warn: 138 atom(s) hit accel clamp on step 11, first atom 135 (108510 -> 100000)
+Warn: 104 atom(s) hit accel clamp on step 12, first atom 34 (176832 -> 100000)
+Warn: 120 atom(s) hit accel clamp on step 13, first atom 12 (174751 -> 100000)
+Warn: 105 atom(s) hit accel clamp on step 14, first atom 307 (113257 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 15, first atom 34 (104649 -> 100000)
+Warn: 78 atom(s) hit accel clamp on step 16, first atom 430 (187186 -> 100000)
+Warn: 78 atom(s) hit accel clamp on step 17, first atom 33 (154632 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 18, first atom 500 (124880 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 19, first atom 208 (150504 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 20, first atom 774 (142893 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 21, first atom 369 (154957 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 22, first atom 414 (171958 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 23, first atom 421 (120242 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 24, first atom 1073 (132933 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 25, first atom 765 (131312 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 26, first atom 1075 (148206 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 27, first atom 416 (144792 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 28, first atom 1073 (573495 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 29, first atom 760 (122876 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 30, first atom 1074 (107255 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 31, first atom 414 (132030 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 32, first atom 1074 (270716 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 33, first atom 1094 (375553 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 34, first atom 1100 (764159 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 35, first atom 768 (180531 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 36, first atom 1071 (123991 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 37, first atom 1067 (2107682 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 38, first atom 1067 (1200503 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 39, first atom 779 (163476 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 40, first atom 1068 (296629 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 41, first atom 1067 (208496 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 42, first atom 1067 (385447 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 43, first atom 1101 (495000 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 44, first atom 44 (106265 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 45, first atom 768 (179096 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 46, first atom 1086 (120468 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 47, first atom 1101 (197056 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 48, first atom 1102 (468430 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 49, first atom 777 (106677 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 50, first atom 1100 (192998 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 51, first atom 1102 (147302 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 52, first atom 1094 (211740 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 53, first atom 771 (184465 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 54, first atom 771 (167995 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 55, first atom 1095 (379346 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 56, first atom 1109 (147968 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 57, first atom 1075 (162794 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 58, first atom 1092 (202942 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 59, first atom 1120 (148759 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 60, first atom 1089 (109504 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 61, first atom 1109 (211013 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 62, first atom 1089 (135973 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 63, first atom 1076 (167091 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 64, first atom 1089 (120800 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1100 (103626 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 66, first atom 764 (116808 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 67, first atom 1089 (139559 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 68, first atom 1100 (128354 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 69, first atom 1089 (111318 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 70, first atom 1684 (109350 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 71, first atom 1407 (118661 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 72, first atom 1119 (105173 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1124 (100364 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 74, first atom 1274 (132033 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 75, first atom 1109 (105709 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 76, first atom 1205 (107245 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 77, first atom 1109 (206186 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 78, first atom 1670 (109954 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 79, first atom 1109 (107822 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 80, first atom 1082 (208325 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 81, first atom 1082 (256334 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1111 (391812 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1407 (143325 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 84, first atom 1207 (101489 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1101 (117734 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 86, first atom 1111 (105437 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 87, first atom 1112 (142408 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 90, first atom 1111 (140590 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 91, first atom 1109 (739951 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 92, first atom 1109 (102856 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1109 (183143 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 94, first atom 1109 (350927 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 95, first atom 1101 (149183 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 97, first atom 1109 (407598 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 98, first atom 1109 (202286 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 100, first atom 1109 (108916 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 101, first atom 1109 (110205 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 102, first atom 1111 (124491 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 104, first atom 1109 (310606 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 107, first atom 1094 (106145 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 111, first atom 1109 (130267 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 123, first atom 1529 (111329 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.75 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6028 / 6091 solvent mols in 392 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Warn: 1 atom(s) hit accel clamp on step 12, first atom 1904 (116645 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 13, first atom 1904 (142604 -> 100000)
+Solvent initialization MD complete in 42389 ms
+Warn: 37 atom(s) hit accel clamp on step 0, first atom 1091 (147688 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1108 (177569 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 2, first atom 1099 (120791 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1401 (323579 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1401 (150334 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 5, first atom 1099 (116857 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 7, first atom 1599 (140073 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 8, first atom 1599 (165962 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1599 (121892 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1599 (118978 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.34 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5918 / 6043 solvent mols in 352 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41355 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.34 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5918 / 6043 solvent mols in 350 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41025 ms
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1266 (1340753 -> 100000)
+Warn: 323 atom(s) hit accel clamp on step 1, first atom 29 (233542 -> 100000)
+Warn: 125 atom(s) hit accel clamp on step 2, first atom 147 (118839 -> 100000)
+Warn: 95 atom(s) hit accel clamp on step 3, first atom 47 (168962 -> 100000)
+Warn: 94 atom(s) hit accel clamp on step 4, first atom 47 (156359 -> 100000)
+Warn: 94 atom(s) hit accel clamp on step 5, first atom 162 (451616 -> 100000)
+Warn: 78 atom(s) hit accel clamp on step 6, first atom 33 (167680 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 7, first atom 421 (141075 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 8, first atom 668 (168205 -> 100000)
+Warn: 78 atom(s) hit accel clamp on step 9, first atom 309 (175141 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 10, first atom 413 (134071 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 11, first atom 669 (118733 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 12, first atom 317 (180114 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 13, first atom 135 (125372 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 14, first atom 415 (155605 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 15, first atom 764 (128784 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 16, first atom 1101 (337415 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 17, first atom 48 (109959 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 18, first atom 761 (137312 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 19, first atom 940 (276940 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 20, first atom 940 (193347 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 21, first atom 136 (181157 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 22, first atom 791 (119111 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 23, first atom 1093 (124415 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 24, first atom 1091 (107987 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 25, first atom 413 (119352 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 26, first atom 766 (109030 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 27, first atom 769 (182581 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 28, first atom 1101 (148706 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 29, first atom 767 (180464 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 30, first atom 765 (151959 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 31, first atom 1101 (403488 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 32, first atom 942 (102219 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 33, first atom 1101 (2105870 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 34, first atom 1091 (202252 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 35, first atom 35 (136199 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 36, first atom 941 (152383 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 37, first atom 939 (149956 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 38, first atom 939 (140165 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 39, first atom 939 (115831 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 40, first atom 939 (103137 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 41, first atom 943 (180347 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 42, first atom 936 (160405 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 43, first atom 767 (178396 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 44, first atom 759 (103293 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 45, first atom 939 (149198 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 46, first atom 762 (162743 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 47, first atom 939 (110197 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 48, first atom 1092 (112097 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 49, first atom 1096 (217869 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 50, first atom 1096 (210207 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 51, first atom 943 (138168 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 52, first atom 941 (146815 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 53, first atom 1095 (119148 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 54, first atom 1414 (421644 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 55, first atom 1101 (142373 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 56, first atom 1092 (212775 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 57, first atom 1415 (106485 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1671 (295582 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 59, first atom 1095 (182379 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 60, first atom 1096 (221151 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 61, first atom 1241 (111310 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 62, first atom 761 (112456 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 63, first atom 772 (120910 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 64, first atom 1411 (126575 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 65, first atom 939 (188420 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 66, first atom 1101 (386503 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1101 (157776 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 68, first atom 1668 (292070 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 69, first atom 1101 (107224 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 70, first atom 1415 (133228 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1668 (321466 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 72, first atom 1670 (214326 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 73, first atom 1670 (174326 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 74, first atom 1670 (131823 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1567 (116627 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 76, first atom 939 (182771 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 77, first atom 938 (131790 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 78, first atom 1327 (126652 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 79, first atom 1327 (144237 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 80, first atom 1681 (113415 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1816 (251387 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 942 (101583 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1683 (263614 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1103 (110451 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 86, first atom 1219 (114756 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 87, first atom 1423 (187328 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1816 (124171 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 89, first atom 1684 (111181 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 90, first atom 1791 (137321 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 91, first atom 939 (101081 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 92, first atom 1592 (100976 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1102 (141367 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1816 (120406 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1105 (155199 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 96, first atom 1686 (102136 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1816 (176191 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 111, first atom 1686 (101471 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 113, first atom 1818 (118122 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 1108 (416664 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1117 (161093 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1108 (402178 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1108 (383713 -> 100000)
+Warn: 277 atom(s) hit accel clamp on step 5, first atom 0 (304776 -> 100000)
+Warn: 99 atom(s) hit accel clamp on step 6, first atom 428 (376984 -> 100000)
+Warn: 83 atom(s) hit accel clamp on step 7, first atom 423 (151932 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 8, first atom 242 (110364 -> 100000)
+Warn: 90 atom(s) hit accel clamp on step 9, first atom 217 (105881 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 10, first atom 935 (100320 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 11, first atom 11 (114308 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 12, first atom 438 (115525 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 13, first atom 1046 (114671 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 14, first atom 319 (160878 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 15, first atom 767 (328217 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 16, first atom 248 (181509 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 17, first atom 948 (145078 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 18, first atom 1082 (105236 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 19, first atom 774 (204146 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 20, first atom 319 (104029 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 21, first atom 9 (104288 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 22, first atom 1011 (140162 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 23, first atom 773 (191492 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 24, first atom 1108 (163355 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 25, first atom 1156 (107738 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 26, first atom 247 (108271 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 27, first atom 1108 (116185 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 28, first atom 1102 (107511 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 29, first atom 1247 (356886 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 30, first atom 1247 (329512 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 31, first atom 1121 (133390 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 32, first atom 1247 (259639 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 33, first atom 1093 (191988 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 34, first atom 771 (131410 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 35, first atom 1128 (117654 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 36, first atom 1087 (144018 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 37, first atom 1081 (142966 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 38, first atom 1270 (147257 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 39, first atom 1415 (100735 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 40, first atom 1283 (102188 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 41, first atom 1102 (116449 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 42, first atom 1263 (113441 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 43, first atom 1408 (108106 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 44, first atom 1263 (140562 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 45, first atom 1284 (114504 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 46, first atom 1263 (247958 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1418 (248908 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 48, first atom 1263 (143471 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 49, first atom 1247 (120618 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 50, first atom 1277 (102875 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 51, first atom 1116 (132179 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 52, first atom 1242 (101033 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 53, first atom 1278 (166336 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 54, first atom 1678 (150634 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1678 (125428 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 56, first atom 1083 (148221 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 57, first atom 1610 (172806 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 58, first atom 1285 (130070 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 59, first atom 1099 (101530 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 60, first atom 1086 (102257 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1676 (105435 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1418 (121296 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1731 (110612 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1415 (651979 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 65, first atom 1415 (453347 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1415 (114222 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1275 (124698 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1415 (115877 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1415 (142742 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 71, first atom 1415 (131261 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1861 (199772 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 73, first atom 1277 (123908 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 74, first atom 1816 (102906 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1415 (127343 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1415 (155044 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 79, first atom 1678 (110000 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 80, first atom 1239 (109815 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1415 (121632 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1694 (113254 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 120, first atom 1416 (120931 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1262 (403010 -> 100000)
+Warn: 308 atom(s) hit accel clamp on step 1, first atom 0 (302954 -> 100000)
+Warn: 119 atom(s) hit accel clamp on step 2, first atom 147 (118454 -> 100000)
+Warn: 92 atom(s) hit accel clamp on step 3, first atom 47 (169195 -> 100000)
+Warn: 90 atom(s) hit accel clamp on step 4, first atom 47 (157099 -> 100000)
+Warn: 87 atom(s) hit accel clamp on step 5, first atom 162 (467573 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 6, first atom 1 (124404 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 7, first atom 421 (148563 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 8, first atom 608 (104685 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 9, first atom 309 (178603 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 10, first atom 413 (127044 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 11, first atom 762 (146505 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 12, first atom 310 (158138 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 13, first atom 430 (114406 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 14, first atom 415 (157150 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 15, first atom 765 (132325 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 16, first atom 761 (270772 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 17, first atom 1095 (586643 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 18, first atom 935 (378865 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 19, first atom 762 (185221 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 20, first atom 940 (194076 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 21, first atom 767 (157394 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 22, first atom 1102 (123845 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 23, first atom 768 (152040 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 24, first atom 768 (112271 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 25, first atom 413 (117587 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 26, first atom 943 (139942 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 27, first atom 938 (104211 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 28, first atom 1101 (107584 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 29, first atom 940 (177137 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 30, first atom 1107 (112366 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 31, first atom 787 (134075 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 32, first atom 1101 (247768 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 33, first atom 1100 (252191 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 34, first atom 765 (171946 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 35, first atom 765 (167929 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 36, first atom 753 (131606 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 37, first atom 1100 (323018 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 38, first atom 759 (275946 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 39, first atom 770 (335157 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 40, first atom 767 (179714 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 41, first atom 1073 (118844 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 42, first atom 1097 (331588 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 43, first atom 1094 (101204 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 44, first atom 414 (137471 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 45, first atom 765 (129336 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 46, first atom 763 (209891 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 47, first atom 939 (111996 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 48, first atom 1109 (115665 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 49, first atom 1208 (188696 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 50, first atom 1094 (111105 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 51, first atom 1109 (153321 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 52, first atom 764 (116316 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 53, first atom 764 (131850 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 54, first atom 421 (123518 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 55, first atom 763 (137825 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 56, first atom 1085 (121455 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 57, first atom 1100 (193350 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 58, first atom 1094 (344883 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 59, first atom 1094 (182706 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 60, first atom 1221 (206995 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 61, first atom 1094 (126600 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 62, first atom 1100 (108938 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 63, first atom 763 (154243 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 64, first atom 1674 (627608 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 65, first atom 1097 (121844 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 66, first atom 763 (109869 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1220 (117722 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 68, first atom 1674 (352237 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 69, first atom 1209 (116214 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1677 (102773 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 71, first atom 1674 (111348 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 72, first atom 1674 (112064 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1674 (490274 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 74, first atom 1674 (881943 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 75, first atom 1674 (360781 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1674 (507776 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 77, first atom 1664 (258823 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1676 (548415 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 79, first atom 1476 (100428 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 82, first atom 1664 (313703 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1104 (230166 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 84, first atom 1674 (111333 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1674 (130246 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 86, first atom 1674 (171967 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1677 (125114 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1676 (151062 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 89, first atom 1544 (139502 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1679 (119686 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1679 (108124 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 92, first atom 1544 (234776 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 93, first atom 1661 (290546 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 94, first atom 1661 (376788 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1676 (494238 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 96, first atom 1553 (145799 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1811 (261797 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 100, first atom 1855 (142188 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 103, first atom 1855 (135226 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 105, first atom 1095 (161113 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 108, first atom 1809 (111961 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 109, first atom 1677 (358782 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 110, first atom 1677 (248372 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 116, first atom 1684 (101755 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 120, first atom 1809 (135756 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 121, first atom 1677 (170385 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 122, first atom 1677 (103938 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.71 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6026 / 6089 solvent mols in 363 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42164 ms
+Warn: 31 atom(s) hit accel clamp on step 0, first atom 1109 (346387 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 1, first atom 1109 (198493 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 2, first atom 1262 (156256 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 3, first atom 1262 (139157 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1402 (143543 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1402 (255500 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1262 (263810 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1600 (111220 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1704 (120935 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1704 (116114 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 17, first atom 1704 (114154 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.30 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5915 / 6042 solvent mols in 379 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42706 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.30 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5915 / 6042 solvent mols in 361 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41439 ms
+Warn: 16 atom(s) hit accel clamp on step 0, first atom 1109 (481098 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1118 (155988 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1694 (349860 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1821 (343959 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1109 (129814 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1821 (150985 -> 100000)
+Warn: 277 atom(s) hit accel clamp on step 6, first atom 0 (305108 -> 100000)
+Warn: 97 atom(s) hit accel clamp on step 7, first atom 428 (373863 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 8, first atom 423 (146587 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 9, first atom 240 (102010 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 10, first atom 403 (169524 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 11, first atom 757 (136634 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 12, first atom 429 (110129 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 13, first atom 734 (108754 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 14, first atom 1101 (142863 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 15, first atom 424 (110194 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 16, first atom 774 (112705 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 17, first atom 676 (116537 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 18, first atom 429 (108134 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 19, first atom 429 (184342 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 20, first atom 194 (131229 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 21, first atom 429 (107769 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 22, first atom 9 (147584 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 23, first atom 1109 (142987 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 24, first atom 422 (189680 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 25, first atom 440 (128278 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 26, first atom 1271 (118892 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 27, first atom 247 (111093 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 28, first atom 1085 (233052 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 29, first atom 1243 (122056 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 30, first atom 1251 (136339 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 31, first atom 1084 (285049 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 32, first atom 1084 (101369 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 33, first atom 1084 (120546 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 34, first atom 1101 (184348 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 35, first atom 930 (162785 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 36, first atom 1084 (119083 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 37, first atom 771 (201423 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 38, first atom 1234 (118151 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 39, first atom 1082 (135022 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 40, first atom 1082 (187350 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 41, first atom 1012 (133147 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 42, first atom 1264 (123062 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 43, first atom 1087 (167396 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 44, first atom 1088 (116437 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 45, first atom 1252 (159582 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 46, first atom 1278 (113826 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 47, first atom 771 (116440 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 48, first atom 1264 (117112 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 49, first atom 1082 (181007 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 50, first atom 1082 (116845 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 51, first atom 1278 (112853 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 52, first atom 1264 (176704 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 53, first atom 1087 (117649 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 54, first atom 1082 (171064 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 55, first atom 1082 (304513 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 56, first atom 1082 (175883 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 57, first atom 1609 (218120 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 58, first atom 1420 (159314 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 59, first atom 1678 (130181 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 60, first atom 1566 (101832 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 61, first atom 1098 (171475 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 62, first atom 1282 (126238 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 63, first atom 1417 (2095875 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 64, first atom 1417 (244436 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 65, first atom 1084 (162808 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 66, first atom 1087 (100706 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 67, first atom 1416 (139409 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 68, first atom 1612 (113801 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 69, first atom 1720 (115298 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 70, first atom 1417 (141361 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 71, first atom 1425 (114116 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 73, first atom 1702 (108293 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1876 (116153 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 75, first atom 1691 (194114 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1876 (228131 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 77, first atom 1682 (118731 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 78, first atom 1817 (103460 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1860 (123431 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1827 (133366 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1875 (219919 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1692 (155649 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1866 (145878 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 86, first atom 1819 (147670 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1875 (125757 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 91, first atom 1417 (111585 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1882 (107376 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1875 (121612 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 98, first atom 1417 (199262 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1679 (104090 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 109, first atom 1826 (116090 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 112, first atom 1690 (105093 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 1243 (114808 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1593 (125508 -> 100000)
+Warn: 299 atom(s) hit accel clamp on step 4, first atom 0 (304091 -> 100000)
+Warn: 124 atom(s) hit accel clamp on step 5, first atom 147 (198574 -> 100000)
+Warn: 88 atom(s) hit accel clamp on step 6, first atom 34 (175706 -> 100000)
+Warn: 96 atom(s) hit accel clamp on step 7, first atom 34 (157111 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 8, first atom 162 (552827 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 9, first atom 162 (209552 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 10, first atom 421 (109920 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 11, first atom 792 (147032 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 12, first atom 309 (182104 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 13, first atom 312 (114428 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 14, first atom 35 (123545 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 15, first atom 460 (121996 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 16, first atom 35 (151880 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 17, first atom 415 (152305 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 18, first atom 414 (114817 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 19, first atom 421 (187388 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 20, first atom 421 (195811 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 21, first atom 34 (118142 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 22, first atom 161 (100986 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 23, first atom 46 (125934 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 24, first atom 759 (123838 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 25, first atom 934 (171648 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 26, first atom 939 (107258 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 27, first atom 69 (261040 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 28, first atom 1096 (608699 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 29, first atom 760 (361306 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 30, first atom 769 (198996 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 31, first atom 770 (100092 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 32, first atom 1102 (101245 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 33, first atom 764 (110442 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 34, first atom 1103 (396901 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 35, first atom 1108 (232658 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 36, first atom 1096 (125414 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 37, first atom 162 (152052 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 38, first atom 764 (164828 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 39, first atom 1102 (314255 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 40, first atom 1004 (101179 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 41, first atom 763 (130440 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 42, first atom 1101 (2078871 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 43, first atom 771 (101454 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 44, first atom 1096 (115376 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 45, first atom 767 (176155 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 46, first atom 1102 (100847 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 47, first atom 762 (168721 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 48, first atom 1096 (100184 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 49, first atom 1098 (192309 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 50, first atom 1096 (177852 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 51, first atom 1095 (106779 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 52, first atom 1095 (189162 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 53, first atom 1110 (223256 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 54, first atom 1097 (168786 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 55, first atom 1096 (200364 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 56, first atom 1104 (355917 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 57, first atom 979 (113023 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 58, first atom 1005 (152913 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 59, first atom 1110 (127180 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 60, first atom 760 (110954 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 61, first atom 1111 (107882 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 62, first atom 1120 (114406 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 63, first atom 1680 (270158 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 64, first atom 1096 (342706 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 65, first atom 989 (102916 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 66, first atom 1121 (105767 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 67, first atom 1110 (110718 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 68, first atom 1110 (309970 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 69, first atom 1102 (386083 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 70, first atom 1095 (117720 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1852 (197799 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 770 (108432 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 73, first atom 1689 (688625 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 74, first atom 1685 (123219 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 75, first atom 1101 (123296 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 76, first atom 1680 (426808 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 77, first atom 1101 (118570 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 78, first atom 1108 (130866 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 79, first atom 1843 (127381 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 80, first atom 1403 (214418 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 81, first atom 1845 (143180 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 82, first atom 1103 (142366 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1803 (109131 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 84, first atom 1803 (264223 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 85, first atom 1681 (289204 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 86, first atom 1101 (121342 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 87, first atom 1852 (117591 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 88, first atom 1101 (103706 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1683 (132263 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1852 (235409 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 91, first atom 1676 (111572 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 92, first atom 1681 (128388 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1820 (111988 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 96, first atom 1091 (163295 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 98, first atom 1681 (110184 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 100, first atom 1095 (138436 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 102, first atom 1091 (102380 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 103, first atom 1854 (204914 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 104, first atom 1854 (399422 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 105, first atom 1858 (107866 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 106, first atom 1853 (127929 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 109, first atom 1811 (101297 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 111, first atom 1688 (101048 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1567 (133621 -> 100000)
+Warn: 324 atom(s) hit accel clamp on step 1, first atom 0 (304698 -> 100000)
+Warn: 125 atom(s) hit accel clamp on step 2, first atom 147 (116084 -> 100000)
+Warn: 96 atom(s) hit accel clamp on step 3, first atom 47 (168457 -> 100000)
+Warn: 99 atom(s) hit accel clamp on step 4, first atom 47 (155332 -> 100000)
+Warn: 115 atom(s) hit accel clamp on step 5, first atom 162 (449590 -> 100000)
+Warn: 87 atom(s) hit accel clamp on step 6, first atom 33 (155202 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 7, first atom 421 (149700 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 8, first atom 762 (120510 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 9, first atom 309 (159092 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 10, first atom 312 (107305 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 11, first atom 762 (177337 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 12, first atom 317 (204031 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 13, first atom 162 (120575 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 14, first atom 159 (171487 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 15, first atom 1097 (275562 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 16, first atom 186 (124282 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 17, first atom 9 (247426 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 18, first atom 156 (111845 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 19, first atom 312 (115388 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 20, first atom 940 (200728 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 21, first atom 35 (123600 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 22, first atom 35 (114247 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 23, first atom 1077 (236762 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 24, first atom 467 (272336 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 25, first atom 1096 (391287 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 26, first atom 1106 (143041 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 27, first atom 767 (111853 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 28, first atom 1096 (104344 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 29, first atom 421 (111268 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 30, first atom 765 (109521 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 31, first atom 1102 (154855 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 32, first atom 1076 (104799 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 33, first atom 766 (130485 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 34, first atom 764 (204182 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 35, first atom 416 (118068 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 36, first atom 1075 (278425 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 37, first atom 1072 (219618 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 38, first atom 312 (100773 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 39, first atom 1096 (108090 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 40, first atom 1104 (131525 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 41, first atom 1092 (222516 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 42, first atom 1077 (110012 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 43, first atom 1103 (130279 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 44, first atom 769 (154099 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 45, first atom 1104 (181530 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 46, first atom 1102 (179671 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 47, first atom 1080 (120698 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 48, first atom 1075 (171726 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 49, first atom 1075 (113866 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 50, first atom 1096 (684586 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 51, first atom 1096 (198608 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 52, first atom 1096 (148492 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 53, first atom 1078 (106934 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 54, first atom 1209 (374226 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 55, first atom 1080 (115814 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 56, first atom 1116 (116319 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 57, first atom 1096 (134307 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 58, first atom 1076 (150350 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 59, first atom 1235 (102118 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 60, first atom 1096 (178681 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 61, first atom 1080 (126303 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 62, first atom 1115 (134139 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1685 (107282 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 64, first atom 1208 (139505 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 65, first atom 1096 (343248 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 66, first atom 1096 (101815 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 67, first atom 1103 (333045 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 68, first atom 1102 (103662 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 69, first atom 1102 (320956 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 70, first atom 1191 (103893 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 71, first atom 1103 (336352 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1618 (286319 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 73, first atom 1111 (135008 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1618 (169588 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 75, first atom 1094 (120340 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 76, first atom 1076 (245407 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 77, first atom 1111 (103259 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 78, first atom 1102 (566157 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 79, first atom 1078 (161019 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 80, first atom 1103 (116454 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 81, first atom 1103 (139054 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1272 (191637 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1075 (103199 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 84, first atom 1688 (118558 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1685 (113992 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1695 (140200 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 89, first atom 1122 (129298 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1683 (130990 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1695 (101025 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1687 (184236 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1687 (180760 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1695 (109754 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 102, first atom 1110 (105513 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 103, first atom 1110 (106052 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 114, first atom 1684 (145985 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 115, first atom 1684 (130642 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 128, first atom 1697 (111442 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 0, first atom 1093 (326852 -> 100000)
+Warn: 290 atom(s) hit accel clamp on step 1, first atom 0 (304685 -> 100000)
+Warn: 103 atom(s) hit accel clamp on step 2, first atom 304 (276873 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 3, first atom 132 (212227 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 4, first atom 804 (147162 -> 100000)
+Warn: 90 atom(s) hit accel clamp on step 5, first atom 244 (151850 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 6, first atom 244 (101341 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 7, first atom 418 (146773 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 8, first atom 1090 (105225 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 9, first atom 938 (150114 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 10, first atom 410 (100466 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 11, first atom 1064 (168047 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 12, first atom 1064 (171588 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 13, first atom 1069 (156113 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 14, first atom 412 (157033 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 15, first atom 1065 (116972 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 16, first atom 1063 (100175 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 17, first atom 418 (109631 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 18, first atom 1120 (148559 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 19, first atom 411 (135537 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 20, first atom 1089 (1092812 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 21, first atom 1089 (579678 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 22, first atom 1089 (258215 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 23, first atom 418 (131977 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 24, first atom 1112 (172064 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 25, first atom 1112 (143055 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 26, first atom 1112 (128083 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 27, first atom 1254 (201775 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 28, first atom 1106 (252290 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 29, first atom 1106 (231112 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 30, first atom 1112 (105944 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 31, first atom 1172 (151900 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 32, first atom 1223 (181222 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 33, first atom 1223 (201115 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 34, first atom 1272 (344722 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 35, first atom 1068 (158326 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1258 (104799 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 37, first atom 1254 (123773 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 38, first atom 1401 (144941 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 39, first atom 1065 (154181 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 40, first atom 1188 (205238 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 41, first atom 1188 (141908 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 42, first atom 1267 (105107 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 43, first atom 1247 (100844 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 44, first atom 1274 (143860 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 45, first atom 1402 (100269 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 46, first atom 1188 (115281 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 47, first atom 1065 (162513 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 48, first atom 1188 (129680 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1188 (102568 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 50, first atom 1514 (192092 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1393 (113267 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1404 (134513 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1813 (107579 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1849 (129614 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1402 (112413 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1402 (111750 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1223 (191305 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1405 (114840 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1112 (106026 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1648 (121419 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 61, first atom 1223 (109574 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1672 (230664 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 63, first atom 1672 (182086 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1672 (165241 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1672 (153512 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1707 (157845 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1643 (102802 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 69, first atom 1403 (117931 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1400 (103813 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1402 (1950871 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1405 (120303 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1400 (102510 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1703 (104195 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1399 (119564 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1399 (113373 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1399 (163539 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1807 (296402 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1809 (111880 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1809 (120298 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.69 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6023 / 6089 solvent mols in 386 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43129 ms
+Warn: 32 atom(s) hit accel clamp on step 0, first atom 1108 (158151 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1108 (128734 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 2, first atom 1117 (191918 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 3, first atom 1117 (157224 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1410 (357471 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1608 (102017 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 6, first atom 1117 (132882 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1270 (277975 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 13, first atom 1608 (102815 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.28 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5912 / 6042 solvent mols in 353 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41100 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.28 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5912 / 6042 solvent mols in 350 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41708 ms
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1251 (105746 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1601 (128261 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1605 (189295 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1605 (150775 -> 100000)
+Warn: 310 atom(s) hit accel clamp on step 4, first atom 0 (303726 -> 100000)
+Warn: 116 atom(s) hit accel clamp on step 5, first atom 155 (130850 -> 100000)
+Warn: 98 atom(s) hit accel clamp on step 6, first atom 34 (174858 -> 100000)
+Warn: 95 atom(s) hit accel clamp on step 7, first atom 47 (153666 -> 100000)
+Warn: 83 atom(s) hit accel clamp on step 8, first atom 140 (157569 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 9, first atom 735 (112509 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 10, first atom 324 (142136 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 11, first atom 799 (147614 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 12, first atom 511 (102195 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 13, first atom 421 (139828 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 14, first atom 35 (116800 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 15, first atom 35 (294126 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 16, first atom 35 (234655 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 17, first atom 35 (131626 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 18, first atom 773 (152599 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 19, first atom 429 (204370 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 20, first atom 35 (120475 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 21, first atom 429 (139038 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 22, first atom 35 (128732 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 23, first atom 55 (147721 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 24, first atom 33 (136914 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 25, first atom 35 (126160 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 26, first atom 771 (200112 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 27, first atom 771 (202042 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 28, first atom 429 (223187 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 29, first atom 429 (190204 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 30, first atom 429 (228071 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 31, first atom 429 (130822 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 32, first atom 900 (109749 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 33, first atom 933 (150022 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 34, first atom 1103 (415108 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 35, first atom 428 (297230 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 36, first atom 939 (145362 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 37, first atom 774 (116743 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 38, first atom 1011 (115630 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 39, first atom 943 (122612 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 40, first atom 421 (149115 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 41, first atom 421 (141459 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 42, first atom 935 (248799 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 43, first atom 1099 (113577 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 44, first atom 1103 (224648 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 45, first atom 1093 (233401 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 46, first atom 936 (108836 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 47, first atom 1110 (220636 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 48, first atom 1099 (181425 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 49, first atom 1099 (103217 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 50, first atom 1099 (135091 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 51, first atom 1109 (489400 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 52, first atom 779 (162069 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 53, first atom 779 (165818 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 54, first atom 773 (114960 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 55, first atom 770 (149273 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 56, first atom 1103 (158786 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 57, first atom 1103 (295332 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 58, first atom 624 (301955 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 59, first atom 46 (137383 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 60, first atom 628 (152222 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 61, first atom 426 (143256 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 62, first atom 1122 (204664 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 63, first atom 945 (102786 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 64, first atom 53 (124617 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 65, first atom 1104 (105267 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 66, first atom 1225 (134145 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 67, first atom 1100 (1030971 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 68, first atom 1100 (310164 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 69, first atom 1411 (252568 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 70, first atom 1122 (103819 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 71, first atom 476 (168299 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 72, first atom 1121 (100020 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 73, first atom 1098 (115504 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 74, first atom 476 (118915 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 75, first atom 775 (221576 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 76, first atom 775 (139575 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 77, first atom 1131 (100523 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 78, first atom 779 (166329 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 79, first atom 1101 (174714 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 80, first atom 1326 (108322 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 81, first atom 1102 (101264 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 82, first atom 1564 (134842 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 83, first atom 1104 (160918 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 84, first atom 1109 (262716 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 85, first atom 1111 (230627 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 86, first atom 774 (107636 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 87, first atom 1109 (340160 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 88, first atom 1109 (240803 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 89, first atom 1109 (287735 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 90, first atom 1554 (103165 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 91, first atom 1110 (1875044 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 92, first atom 1110 (219305 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 93, first atom 775 (123439 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 94, first atom 1111 (500267 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 95, first atom 1688 (150404 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 96, first atom 1819 (107672 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 97, first atom 1131 (214065 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 98, first atom 1437 (105152 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 99, first atom 1554 (119533 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 100, first atom 1111 (151248 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 101, first atom 1555 (198028 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 102, first atom 1569 (133950 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 103, first atom 1563 (125376 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 104, first atom 1562 (503549 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 105, first atom 1562 (166297 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 106, first atom 1563 (198325 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 107, first atom 1563 (361140 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 108, first atom 1563 (128753 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 109, first atom 1565 (152044 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 110, first atom 1562 (131756 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 111, first atom 1562 (150559 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 113, first atom 1688 (110016 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 114, first atom 1120 (160295 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 118, first atom 1687 (158245 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 119, first atom 1562 (107351 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 123, first atom 1688 (209266 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 125, first atom 1818 (221043 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 128, first atom 1687 (201898 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 129, first atom 1687 (196115 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 145, first atom 1686 (102766 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1251 (101114 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1601 (112728 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1275 (121887 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1605 (136866 -> 100000)
+Warn: 308 atom(s) hit accel clamp on step 4, first atom 0 (303903 -> 100000)
+Warn: 117 atom(s) hit accel clamp on step 5, first atom 155 (123519 -> 100000)
+Warn: 98 atom(s) hit accel clamp on step 6, first atom 34 (174397 -> 100000)
+Warn: 96 atom(s) hit accel clamp on step 7, first atom 34 (157814 -> 100000)
+Warn: 84 atom(s) hit accel clamp on step 8, first atom 135 (109751 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 9, first atom 48 (110768 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 10, first atom 170 (215258 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 11, first atom 34 (110873 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 12, first atom 780 (113917 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 13, first atom 421 (142703 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 14, first atom 204 (163373 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 15, first atom 139 (131584 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 16, first atom 201 (104543 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 17, first atom 318 (100101 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 18, first atom 133 (133936 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 19, first atom 169 (363178 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 20, first atom 169 (180556 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 21, first atom 422 (175413 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 22, first atom 429 (193368 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 23, first atom 49 (107360 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 24, first atom 1109 (2661630 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 25, first atom 33 (117904 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 26, first atom 946 (382044 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 27, first atom 772 (144939 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 28, first atom 429 (207268 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 29, first atom 429 (187221 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 30, first atom 429 (106179 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 31, first atom 168 (180018 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 32, first atom 949 (133900 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 33, first atom 773 (163369 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 34, first atom 773 (149880 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 35, first atom 790 (289796 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 36, first atom 599 (128895 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 37, first atom 775 (176176 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 38, first atom 774 (100720 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 39, first atom 1136 (303779 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 40, first atom 421 (135008 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 41, first atom 1103 (135684 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 42, first atom 950 (164545 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 43, first atom 1198 (116819 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 44, first atom 779 (253161 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 45, first atom 951 (170118 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 46, first atom 425 (142219 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 47, first atom 1109 (173339 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 48, first atom 1129 (112858 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 49, first atom 948 (178979 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 50, first atom 1109 (228842 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 51, first atom 1197 (397571 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 52, first atom 772 (179480 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 53, first atom 1109 (133836 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 54, first atom 770 (185122 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 55, first atom 770 (124915 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 56, first atom 1109 (172670 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 57, first atom 775 (148746 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 58, first atom 1114 (919545 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 59, first atom 1118 (141317 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 60, first atom 1117 (117589 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 61, first atom 1119 (766671 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 62, first atom 429 (194307 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 63, first atom 948 (175344 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 64, first atom 948 (152467 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 65, first atom 948 (121758 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 66, first atom 770 (165279 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 67, first atom 774 (149737 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 68, first atom 1197 (106353 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 69, first atom 1132 (133473 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 70, first atom 779 (102133 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 71, first atom 1110 (101548 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 72, first atom 931 (126059 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 73, first atom 1112 (115436 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 74, first atom 1536 (172670 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1811 (110794 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 76, first atom 1133 (114181 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 77, first atom 1118 (139605 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 78, first atom 1685 (494347 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 79, first atom 1110 (246172 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 80, first atom 1688 (248287 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 81, first atom 1689 (125810 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 82, first atom 1196 (243331 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 83, first atom 1473 (215796 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 84, first atom 1536 (129477 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 85, first atom 1536 (203147 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 86, first atom 1230 (118371 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 87, first atom 773 (125538 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 88, first atom 774 (107876 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 89, first atom 1683 (166402 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 90, first atom 1196 (132476 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 91, first atom 1677 (495324 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 92, first atom 1112 (174402 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 93, first atom 1199 (103967 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 94, first atom 1686 (104570 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 95, first atom 1686 (142471 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 96, first atom 1112 (201017 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 97, first atom 1104 (209171 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 98, first atom 1104 (170085 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 99, first atom 1112 (159592 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 100, first atom 1114 (122053 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 101, first atom 1114 (169398 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 102, first atom 1683 (113938 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 103, first atom 1683 (172607 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 104, first atom 1199 (128386 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 105, first atom 1536 (102261 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 106, first atom 1113 (126426 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 107, first atom 1685 (234489 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 108, first atom 1684 (628929 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 109, first atom 1685 (111589 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 110, first atom 1684 (190916 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 111, first atom 1704 (112969 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 113, first atom 1685 (110433 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 114, first atom 1811 (109170 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 116, first atom 1689 (140932 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 118, first atom 1802 (103187 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 122, first atom 1111 (121914 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 123, first atom 1818 (104872 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 140, first atom 1813 (134404 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1867 (228169 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1869 (106896 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1867 (116079 -> 100000)
+Warn: 334 atom(s) hit accel clamp on step 6, first atom 0 (305287 -> 100000)
+Warn: 119 atom(s) hit accel clamp on step 7, first atom 155 (161398 -> 100000)
+Warn: 111 atom(s) hit accel clamp on step 8, first atom 1 (116620 -> 100000)
+Warn: 114 atom(s) hit accel clamp on step 9, first atom 34 (153498 -> 100000)
+Warn: 110 atom(s) hit accel clamp on step 10, first atom 171 (357683 -> 100000)
+Warn: 84 atom(s) hit accel clamp on step 11, first atom 0 (178738 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 12, first atom 511 (144856 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 13, first atom 156 (114263 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 14, first atom 508 (150818 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 15, first atom 948 (127532 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 16, first atom 776 (180618 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 17, first atom 682 (135811 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 18, first atom 325 (185532 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 19, first atom 654 (349083 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 20, first atom 194 (130264 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 21, first atom 9 (118332 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 22, first atom 772 (163205 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 23, first atom 64 (176225 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 24, first atom 64 (178583 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 25, first atom 320 (108995 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 26, first atom 772 (120620 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 27, first atom 325 (158246 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 28, first atom 779 (158713 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 29, first atom 779 (193717 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 30, first atom 796 (187531 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 31, first atom 1105 (111870 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 32, first atom 774 (165952 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 33, first atom 767 (103492 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 34, first atom 1111 (179883 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 35, first atom 1112 (157912 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 36, first atom 1105 (118456 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 37, first atom 769 (173251 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 38, first atom 770 (103889 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 39, first atom 1088 (105941 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 40, first atom 1104 (380446 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 41, first atom 1104 (164123 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 42, first atom 771 (175203 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 43, first atom 767 (145940 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 44, first atom 946 (179569 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 45, first atom 942 (116189 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 46, first atom 770 (102033 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 47, first atom 1110 (755156 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 48, first atom 1110 (222746 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 49, first atom 949 (335565 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 50, first atom 1105 (116794 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 51, first atom 767 (181917 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 52, first atom 1123 (239446 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 53, first atom 623 (182788 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 54, first atom 1083 (101104 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 55, first atom 1130 (318829 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 56, first atom 623 (182919 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 57, first atom 1083 (143023 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 58, first atom 760 (108599 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 59, first atom 1083 (171133 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 60, first atom 1088 (120909 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 61, first atom 1123 (703880 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 62, first atom 773 (111016 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 63, first atom 1096 (140056 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 64, first atom 1096 (114377 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 65, first atom 1127 (104378 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 66, first atom 1279 (107946 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 67, first atom 1232 (108679 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 68, first atom 1114 (265272 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 69, first atom 1232 (113339 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 70, first atom 1567 (106031 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 71, first atom 1223 (145202 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 72, first atom 1088 (113579 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 73, first atom 1130 (135908 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 74, first atom 1135 (107064 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 75, first atom 779 (114080 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 76, first atom 1432 (139026 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 77, first atom 1088 (154926 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1680 (186836 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 79, first atom 1132 (114746 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 80, first atom 1696 (157177 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 81, first atom 1242 (124722 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 82, first atom 1132 (455921 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 83, first atom 1693 (112736 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 84, first atom 779 (121756 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 85, first atom 772 (139176 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 86, first atom 1215 (108249 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 87, first atom 1715 (183811 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1418 (100033 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 89, first atom 1696 (126623 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 90, first atom 1132 (125817 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 92, first atom 1424 (174571 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 93, first atom 1223 (113094 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 94, first atom 1103 (278160 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 95, first atom 1223 (101012 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1199 (111409 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 97, first atom 1120 (133986 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 98, first atom 1692 (230812 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1692 (153596 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 100, first atom 1825 (130372 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 101, first atom 1692 (513531 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 102, first atom 1692 (958552 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 103, first atom 1692 (138142 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 104, first atom 1198 (147578 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 105, first atom 1690 (100097 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 107, first atom 1692 (960528 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 108, first atom 1692 (144809 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 113, first atom 1692 (174549 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 114, first atom 1692 (608619 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 117, first atom 1692 (264291 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 122, first atom 1691 (128889 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 123, first atom 1692 (191631 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 124, first atom 1819 (110554 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 130, first atom 1693 (114742 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 157, first atom 1693 (226519 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 182.70 Cell vol: 207.14 (ų / 1,000). Dims: 56.14839:.2 x 63.69 x 57.92 Å
+Added 6025 / 6089 solvent mols in 371 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Warn: 1 atom(s) hit accel clamp on step 12, first atom 1912 (109425 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 13, first atom 1912 (140891 -> 100000)
+Solvent initialization MD complete in 41868 ms
+Warn: 38 atom(s) hit accel clamp on step 0, first atom 1103 (2110052 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 1, first atom 1117 (126102 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 2, first atom 1108 (124840 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1117 (253207 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1404 (222504 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1108 (111917 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 6, first atom 1103 (161242 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 13, first atom 1103 (127031 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 181.29 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5914 / 6042 solvent mols in 378 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41234 ms
+Initializing solvent molecules...
+Solvent-free vol: 181.29 Cell vol: 205.75 (ų / 1,000). Dims: 56.14839:.2 x 63.68 x 57.54 Å
+Added 5914 / 6042 solvent mols in 356 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41211 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1861 (233834 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1870 (130540 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1861 (121258 -> 100000)
+Warn: 324 atom(s) hit accel clamp on step 5, first atom 0 (304670 -> 100000)
+Warn: 115 atom(s) hit accel clamp on step 6, first atom 155 (142003 -> 100000)
+Warn: 105 atom(s) hit accel clamp on step 7, first atom 34 (174507 -> 100000)
+Warn: 107 atom(s) hit accel clamp on step 8, first atom 34 (149057 -> 100000)
+Warn: 102 atom(s) hit accel clamp on step 9, first atom 171 (353612 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 10, first atom 324 (120772 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 11, first atom 770 (137308 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 12, first atom 307 (159224 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 13, first atom 208 (205306 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 14, first atom 421 (123442 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 15, first atom 217 (137553 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 16, first atom 218 (143791 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 17, first atom 325 (184035 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 18, first atom 423 (112590 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 19, first atom 772 (181600 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 20, first atom 770 (203521 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 21, first atom 140 (273309 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 22, first atom 948 (144340 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 23, first atom 140 (154728 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 24, first atom 775 (157820 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 25, first atom 320 (177156 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 26, first atom 575 (174966 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 27, first atom 775 (120106 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 28, first atom 934 (120415 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 29, first atom 1093 (143409 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 30, first atom 320 (188997 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 31, first atom 778 (120217 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 32, first atom 779 (175779 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 33, first atom 420 (201405 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 34, first atom 771 (122988 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 35, first atom 768 (112271 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 36, first atom 770 (177975 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 37, first atom 1204 (730483 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 38, first atom 951 (155056 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 39, first atom 317 (198699 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 40, first atom 1121 (315883 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 41, first atom 774 (187099 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 42, first atom 775 (211463 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 43, first atom 273 (174480 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 44, first atom 779 (152843 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 45, first atom 779 (254848 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 46, first atom 613 (105228 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 47, first atom 1203 (100041 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 48, first atom 613 (109699 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 49, first atom 778 (357179 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 50, first atom 430 (169630 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 51, first atom 774 (100114 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 52, first atom 1104 (111133 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 53, first atom 773 (158992 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 54, first atom 273 (183071 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 55, first atom 1231 (145737 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 56, first atom 1100 (388362 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 57, first atom 1216 (102033 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 58, first atom 776 (174610 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 59, first atom 770 (164405 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 60, first atom 1100 (100032 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 61, first atom 1119 (183718 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 62, first atom 1130 (203890 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 63, first atom 1107 (144958 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 64, first atom 423 (145373 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 65, first atom 1119 (132536 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 66, first atom 1110 (128192 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 67, first atom 1201 (108123 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 68, first atom 1265 (110543 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 69, first atom 1103 (124918 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 70, first atom 771 (152056 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 71, first atom 1135 (124837 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 72, first atom 1252 (172483 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 73, first atom 770 (152707 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 74, first atom 1252 (467484 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 75, first atom 1267 (118552 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 76, first atom 1223 (112428 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 77, first atom 779 (118115 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 78, first atom 1104 (129635 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 79, first atom 1684 (199405 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 80, first atom 1119 (128777 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 81, first atom 1414 (116137 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 82, first atom 1413 (299515 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 83, first atom 790 (106889 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 84, first atom 772 (112677 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 85, first atom 1697 (111754 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 86, first atom 1419 (129011 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 87, first atom 1413 (111523 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 88, first atom 1684 (100607 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 89, first atom 771 (106280 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 90, first atom 779 (105059 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 91, first atom 1537 (191543 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 92, first atom 1121 (205638 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 93, first atom 1298 (127015 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 94, first atom 1104 (118452 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 95, first atom 1676 (144587 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 96, first atom 1096 (116750 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 101, first atom 1697 (164122 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 102, first atom 1691 (105644 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 104, first atom 1689 (108238 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 106, first atom 1802 (141436 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 108, first atom 1684 (253133 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 109, first atom 1684 (240656 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 110, first atom 772 (104376 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 111, first atom 1473 (100024 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 112, first atom 1821 (146623 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 118, first atom 1685 (108803 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 120, first atom 1787 (134845 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 121, first atom 1686 (1030982 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 131, first atom 1691 (190845 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 132, first atom 1414 (162319 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 144, first atom 1686 (195650 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 159, first atom 1685 (168076 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 0, first atom 1107 (4175834 -> 100000)
+Warn: 292 atom(s) hit accel clamp on step 1, first atom 0 (304663 -> 100000)
+Warn: 98 atom(s) hit accel clamp on step 2, first atom 312 (276037 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 3, first atom 233 (152220 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 4, first atom 776 (193824 -> 100000)
+Warn: 87 atom(s) hit accel clamp on step 5, first atom 252 (153070 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 6, first atom 252 (125090 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 7, first atom 426 (120724 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 8, first atom 792 (384570 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 9, first atom 1070 (125271 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 10, first atom 418 (164467 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 11, first atom 1072 (110001 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 12, first atom 1076 (4135390 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 13, first atom 420 (106883 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 14, first atom 420 (105923 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 15, first atom 819 (101188 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 16, first atom 191 (126578 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 17, first atom 9 (125448 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 18, first atom 1109 (146194 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 19, first atom 419 (100614 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 20, first atom 1075 (159797 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 21, first atom 944 (123644 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 22, first atom 1084 (124556 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 23, first atom 1009 (105656 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 24, first atom 758 (106428 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 25, first atom 767 (113491 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 26, first atom 1075 (170058 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 27, first atom 1136 (110186 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 28, first atom 1074 (321027 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 29, first atom 750 (128029 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 30, first atom 1074 (136484 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 31, first atom 1243 (121454 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 32, first atom 1243 (125656 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 33, first atom 1243 (303409 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 34, first atom 1187 (113838 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 35, first atom 1186 (142449 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 36, first atom 1186 (100297 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 37, first atom 1255 (101963 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 38, first atom 1122 (120312 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 39, first atom 1233 (154508 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 40, first atom 1253 (220621 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 41, first atom 1082 (104107 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 1178 (194367 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1316 (119663 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 44, first atom 1186 (152813 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 45, first atom 1403 (159432 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 46, first atom 1404 (189211 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 47, first atom 757 (236051 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 48, first atom 1402 (384799 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 49, first atom 1401 (2091644 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 50, first atom 757 (101580 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 51, first atom 409 (130822 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 52, first atom 1259 (192191 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 53, first atom 1401 (109564 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 54, first atom 1406 (4201127 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 55, first atom 1097 (119781 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1404 (167503 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 57, first atom 1407 (104423 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 58, first atom 1403 (107160 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 59, first atom 1405 (151431 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1658 (104177 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1405 (223376 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 62, first atom 1663 (201722 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1663 (113856 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1659 (311479 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 66, first atom 1585 (173897 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1663 (241721 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 68, first atom 1663 (247697 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1664 (501238 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 70, first atom 1402 (168684 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 71, first atom 1401 (115572 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 72, first atom 1396 (179666 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 73, first atom 1396 (122504 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 74, first atom 1243 (123117 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 76, first atom 1401 (122079 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 77, first atom 1661 (111108 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 78, first atom 1595 (141543 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1661 (107256 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 80, first atom 1664 (129046 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1663 (116523 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 82, first atom 1401 (124054 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1659 (142492 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 84, first atom 1401 (138773 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1401 (106073 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 86, first atom 1663 (131279 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1663 (120426 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 88, first atom 1667 (159362 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 89, first atom 1401 (118036 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 90, first atom 1401 (123045 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1401 (128880 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1663 (107195 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1664 (101542 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 98, first atom 1405 (114568 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1405 (114664 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 102, first atom 1401 (173324 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 104, first atom 1401 (632354 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 105, first atom 1401 (139634 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 106, first atom 1401 (122914 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 107, first atom 1401 (120016 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 0, first atom 1107 (4171844 -> 100000)
+Warn: 277 atom(s) hit accel clamp on step 1, first atom 0 (304614 -> 100000)
+Warn: 99 atom(s) hit accel clamp on step 2, first atom 312 (276903 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 3, first atom 420 (154741 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 4, first atom 767 (100607 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 5, first atom 252 (151620 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 6, first atom 252 (131104 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 7, first atom 426 (116573 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 8, first atom 792 (377700 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 9, first atom 1070 (120721 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 10, first atom 418 (163716 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 11, first atom 926 (104226 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 12, first atom 1076 (3305507 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 13, first atom 420 (118579 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 14, first atom 420 (121014 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 15, first atom 1106 (133022 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 16, first atom 191 (102077 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 17, first atom 1223 (281728 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 18, first atom 1223 (124377 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 19, first atom 419 (152848 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 20, first atom 1097 (327705 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 21, first atom 1009 (108499 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 22, first atom 1071 (100739 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 23, first atom 1009 (133490 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 24, first atom 1082 (107606 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 25, first atom 1226 (245054 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 26, first atom 1077 (113700 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 27, first atom 1077 (102607 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 28, first atom 1263 (270760 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 29, first atom 1241 (275834 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 30, first atom 1235 (207380 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 31, first atom 1395 (203126 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 32, first atom 1098 (141306 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 1252 (210040 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 34, first atom 1113 (100573 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 35, first atom 1335 (119087 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 36, first atom 1232 (110680 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 37, first atom 1261 (140327 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 38, first atom 1397 (509899 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 39, first atom 1263 (163653 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 40, first atom 1232 (109002 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 41, first atom 1256 (668041 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 42, first atom 1232 (159479 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 43, first atom 1263 (104830 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 44, first atom 1127 (116544 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 45, first atom 1309 (311059 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 46, first atom 1315 (120949 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1231 (109347 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 48, first atom 1264 (220602 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 49, first atom 1222 (115126 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 50, first atom 1255 (102538 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 51, first atom 1225 (110652 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 52, first atom 1235 (147040 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1079 (100064 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 54, first atom 1231 (102869 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1400 (106177 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1393 (120503 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1794 (131524 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1685 (175767 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1667 (154125 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1397 (111249 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1263 (123003 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1865 (143281 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1667 (103894 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1667 (299480 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1666 (485024 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1802 (179764 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1852 (111643 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 72, first atom 1397 (133249 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1852 (106950 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1880 (103481 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1667 (120484 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1666 (269287 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1393 (119377 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1861 (261667 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1870 (114463 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1861 (118854 -> 100000)
+Warn: 329 atom(s) hit accel clamp on step 6, first atom 0 (305244 -> 100000)
+Warn: 120 atom(s) hit accel clamp on step 7, first atom 155 (151385 -> 100000)
+Warn: 107 atom(s) hit accel clamp on step 8, first atom 34 (176448 -> 100000)
+Warn: 111 atom(s) hit accel clamp on step 9, first atom 34 (154267 -> 100000)
+Warn: 100 atom(s) hit accel clamp on step 10, first atom 171 (354460 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 11, first atom 170 (111243 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 12, first atom 770 (388756 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 13, first atom 216 (179155 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 14, first atom 139 (111044 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 15, first atom 43 (294031 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 16, first atom 1100 (112558 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 17, first atom 775 (201803 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 18, first atom 423 (143383 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 19, first atom 218 (115522 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 20, first atom 770 (102770 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 21, first atom 772 (202195 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 22, first atom 1104 (106283 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 23, first atom 35 (120635 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 24, first atom 35 (110705 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 25, first atom 674 (195691 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 26, first atom 166 (133095 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 27, first atom 1133 (126036 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 28, first atom 779 (132123 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 29, first atom 1105 (252669 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 30, first atom 186 (189275 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 31, first atom 776 (157994 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 32, first atom 1105 (101600 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 33, first atom 779 (203434 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 34, first atom 1119 (114974 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 35, first atom 135 (113857 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 36, first atom 770 (119238 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 37, first atom 1105 (113703 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 38, first atom 772 (138321 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 39, first atom 779 (114404 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 40, first atom 1004 (130493 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 41, first atom 1093 (187797 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 42, first atom 1093 (302014 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 43, first atom 1093 (159326 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 44, first atom 773 (161009 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 45, first atom 783 (104322 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 46, first atom 1093 (345399 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 47, first atom 1093 (835005 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 48, first atom 775 (122263 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 49, first atom 1085 (122608 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 50, first atom 1104 (579499 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 51, first atom 1096 (142479 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 52, first atom 577 (117582 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 53, first atom 811 (349085 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 54, first atom 1096 (106984 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 55, first atom 1110 (121140 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 56, first atom 584 (347426 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 57, first atom 1090 (131725 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 58, first atom 1218 (167075 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 59, first atom 1098 (116610 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 60, first atom 1095 (630597 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 61, first atom 1095 (430881 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 62, first atom 157 (119654 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 63, first atom 1083 (169795 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 64, first atom 770 (170623 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 65, first atom 943 (101730 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 66, first atom 1083 (126634 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 67, first atom 287 (122381 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 68, first atom 1100 (115015 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 69, first atom 1111 (117348 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 70, first atom 220 (137192 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 71, first atom 1104 (119000 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 72, first atom 1104 (114855 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 73, first atom 1111 (143895 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 74, first atom 451 (225450 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 75, first atom 1121 (122944 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 76, first atom 1218 (122065 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 77, first atom 846 (118608 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 78, first atom 1085 (220073 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 79, first atom 1123 (649873 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 80, first atom 1305 (165929 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 81, first atom 1086 (408100 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 82, first atom 449 (144701 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 83, first atom 1083 (200729 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 84, first atom 457 (132706 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 85, first atom 457 (118815 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 86, first atom 1083 (242875 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 87, first atom 1085 (2059006 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 88, first atom 1083 (157786 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 89, first atom 1110 (151282 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 90, first atom 1085 (143332 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 91, first atom 1083 (130784 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 92, first atom 1239 (447238 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 93, first atom 1083 (103643 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 94, first atom 544 (163339 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 95, first atom 457 (192268 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 96, first atom 457 (172973 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 97, first atom 352 (212282 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 98, first atom 1208 (115705 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 99, first atom 1358 (256210 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 100, first atom 1362 (152233 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 101, first atom 1077 (175893 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 102, first atom 1362 (101893 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 103, first atom 1105 (106480 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 104, first atom 20 (259613 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 105, first atom 453 (128054 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 106, first atom 457 (144053 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 107, first atom 1099 (136842 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 108, first atom 1158 (118693 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 109, first atom 1157 (729474 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 110, first atom 1157 (224863 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 111, first atom 398 (174058 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 112, first atom 383 (145778 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 113, first atom 935 (259378 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 114, first atom 160 (350317 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 115, first atom 688 (110075 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 116, first atom 188 (235791 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 117, first atom 1095 (4148355 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 118, first atom 1219 (137230 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 119, first atom 1234 (134434 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 120, first atom 1234 (108463 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 121, first atom 1203 (134365 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 122, first atom 1190 (148001 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 123, first atom 1244 (935650 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 124, first atom 1244 (496217 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 125, first atom 452 (108007 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 126, first atom 1095 (139143 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 127, first atom 1212 (2085263 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 128, first atom 1094 (218051 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 129, first atom 1213 (114852 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 130, first atom 1298 (464927 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 131, first atom 1253 (178433 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 132, first atom 226 (194502 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 133, first atom 1213 (100068 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 134, first atom 424 (175891 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 135, first atom 201 (262667 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 136, first atom 269 (162545 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 137, first atom 580 (267521 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 138, first atom 1155 (101632 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 139, first atom 1084 (102732 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 140, first atom 855 (100733 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 141, first atom 127 (288339 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 142, first atom 444 (102639 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 143, first atom 228 (173728 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 144, first atom 1151 (247647 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 145, first atom 303 (114601 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 146, first atom 463 (259508 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 147, first atom 1161 (173518 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 148, first atom 451 (148256 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 149, first atom 495 (297718 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 150, first atom 357 (107494 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 151, first atom 318 (342626 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 152, first atom 1067 (170843 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 153, first atom 196 (347842 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 154, first atom 305 (295820 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 155, first atom 845 (105011 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 156, first atom 300 (101230 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 157, first atom 308 (109170 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 158, first atom 173 (348173 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 159, first atom 217 (296181 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 160, first atom 147 (348117 -> 100000)
+Warn: 98 atom(s) hit accel clamp on step 161, first atom 197 (112514 -> 100000)
+Warn: 108 atom(s) hit accel clamp on step 162, first atom 16 (116824 -> 100000)
+Warn: 111 atom(s) hit accel clamp on step 163, first atom 264 (221194 -> 100000)
+Warn: 127 atom(s) hit accel clamp on step 164, first atom 335 (271732 -> 100000)
+Warn: 128 atom(s) hit accel clamp on step 165, first atom 24 (348445 -> 100000)
+Warn: 138 atom(s) hit accel clamp on step 166, first atom 35 (127692 -> 100000)
+Warn: 178 atom(s) hit accel clamp on step 167, first atom 35 (115877 -> 100000)
+Warn: 177 atom(s) hit accel clamp on step 168, first atom 128 (353192 -> 100000)
+Warn: 197 atom(s) hit accel clamp on step 169, first atom 35 (310941 -> 100000)
+Warn: 230 atom(s) hit accel clamp on step 170, first atom 35 (316925 -> 100000)
+Warn: 249 atom(s) hit accel clamp on step 171, first atom 3 (259470 -> 100000)
+Warn: 250 atom(s) hit accel clamp on step 172, first atom 25 (212025 -> 100000)
+Warn: 255 atom(s) hit accel clamp on step 173, first atom 7 (203175 -> 100000)
+Warn: 284 atom(s) hit accel clamp on step 174, first atom 56 (111498 -> 100000)
+Warn: 304 atom(s) hit accel clamp on step 175, first atom 36 (116922 -> 100000)
+Warn: 339 atom(s) hit accel clamp on step 176, first atom 7 (135875 -> 100000)
+Warn: 353 atom(s) hit accel clamp on step 177, first atom 55 (240494 -> 100000)
+Warn: 395 atom(s) hit accel clamp on step 178, first atom 84 (137174 -> 100000)
+Warn: 409 atom(s) hit accel clamp on step 179, first atom 66 (293505 -> 100000)
+Warn: 413 atom(s) hit accel clamp on step 180, first atom 33 (271323 -> 100000)
+Warn: 436 atom(s) hit accel clamp on step 181, first atom 0 (121336 -> 100000)
+Warn: 491 atom(s) hit accel clamp on step 182, first atom 2 (114699 -> 100000)
+Warn: 487 atom(s) hit accel clamp on step 183, first atom 7 (190802 -> 100000)
+Warn: 556 atom(s) hit accel clamp on step 184, first atom 7 (261714 -> 100000)
+Warn: 596 atom(s) hit accel clamp on step 185, first atom 20 (268846 -> 100000)
+Warn: 670 atom(s) hit accel clamp on step 186, first atom 0 (398437 -> 100000)
+Warn: 680 atom(s) hit accel clamp on step 187, first atom 2 (145761 -> 100000)
+Warn: 689 atom(s) hit accel clamp on step 188, first atom 0 (118292 -> 100000)
+Warn: 778 atom(s) hit accel clamp on step 189, first atom 7 (269756 -> 100000)
+Warn: 854 atom(s) hit accel clamp on step 190, first atom 0 (304961 -> 100000)
+Warn: 900 atom(s) hit accel clamp on step 191, first atom 0 (291719 -> 100000)
+Warn: 886 atom(s) hit accel clamp on step 192, first atom 3 (108094 -> 100000)
+Warn: 975 atom(s) hit accel clamp on step 193, first atom 0 (294249 -> 100000)
+Warn: 1060 atom(s) hit accel clamp on step 194, first atom 1 (441389 -> 100000)
+Warn: 1116 atom(s) hit accel clamp on step 195, first atom 0 (314644 -> 100000)
+Warn: 1168 atom(s) hit accel clamp on step 196, first atom 2 (167303 -> 100000)
+Warn: 1202 atom(s) hit accel clamp on step 197, first atom 0 (318699 -> 100000)
+Warn: 1232 atom(s) hit accel clamp on step 198, first atom 3 (220476 -> 100000)
+Warn: 1265 atom(s) hit accel clamp on step 199, first atom 0 (153563 -> 100000)
+Warn: 1302 atom(s) hit accel clamp on step 200, first atom 1 (436913 -> 100000)
+Warn: 1341 atom(s) hit accel clamp on step 201, first atom 1 (686239 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.79 Cell vol: 202.18 (ų / 1,000). Dims: 56.14839:.2 x 62.17 x 57.92 Å
+Added 5925 / 5925 solvent mols in 357 ms. Used 49349 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43349 ms
+Warn: 39 atom(s) hit accel clamp on step 0, first atom 1075 (179971 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 1, first atom 1118 (126014 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1118 (571651 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 3, first atom 1075 (109681 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1118 (162561 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1508 (103675 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 6, first atom 1104 (111208 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 7, first atom 1118 (117104 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1707 (266705 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1707 (116906 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 11, first atom 1707 (112666 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 14, first atom 1707 (236801 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1707 (156381 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1707 (342492 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1707 (225285 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1707 (136541 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1707 (104663 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.40 Cell vol: 200.82 (ų / 1,000). Dims: 56.14839:.2 x 62.15 x 57.54 Å
+Added 5810 / 5879 solvent mols in 344 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41078 ms
+Initializing solvent molecules...
+Solvent-free vol: 176.40 Cell vol: 200.82 (ų / 1,000). Dims: 56.14839:.2 x 62.15 x 57.54 Å
+Added 5810 / 5879 solvent mols in 371 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41376 ms
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 1108 (341147 -> 100000)
+Warn: 295 atom(s) hit accel clamp on step 1, first atom 0 (304780 -> 100000)
+Warn: 97 atom(s) hit accel clamp on step 2, first atom 312 (274923 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 3, first atom 420 (154698 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 4, first atom 776 (124536 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 5, first atom 252 (150037 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 6, first atom 252 (107720 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 7, first atom 994 (165215 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 8, first atom 1099 (486847 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 9, first atom 946 (158610 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 10, first atom 1110 (298070 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 11, first atom 896 (158787 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 12, first atom 1077 (148105 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 13, first atom 1097 (116104 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 14, first atom 420 (161421 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 15, first atom 819 (120764 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 16, first atom 426 (192067 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 17, first atom 426 (194851 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 18, first atom 1009 (143434 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 19, first atom 995 (138645 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 20, first atom 321 (111914 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 21, first atom 1110 (431702 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 22, first atom 1204 (107342 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 23, first atom 1149 (117837 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 24, first atom 1075 (190080 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 25, first atom 1110 (129600 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 26, first atom 426 (214791 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 27, first atom 418 (183763 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 28, first atom 1109 (206879 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 29, first atom 1110 (116786 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 30, first atom 1253 (225947 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 31, first atom 1253 (107634 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 32, first atom 1323 (105560 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 33, first atom 1244 (131460 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 34, first atom 1320 (199357 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 35, first atom 1110 (112683 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 36, first atom 1264 (255901 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 37, first atom 425 (122275 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 38, first atom 1260 (130226 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 39, first atom 1259 (744913 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 40, first atom 421 (172017 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 41, first atom 1239 (204532 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 1217 (128299 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 43, first atom 1175 (123752 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 44, first atom 1251 (100887 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 45, first atom 1322 (115159 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 46, first atom 1409 (711450 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 47, first atom 426 (123382 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1409 (311528 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 49, first atom 1098 (173708 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1677 (310223 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1407 (163229 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1232 (141853 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1180 (128823 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 56, first atom 1187 (102168 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1852 (137576 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1407 (189616 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1262 (228136 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1852 (124037 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1408 (2102436 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1852 (222118 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1846 (108358 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1705 (100251 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1407 (139304 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1409 (230664 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 71, first atom 1257 (150871 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1402 (287595 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1402 (104152 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1406 (107368 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1778 (107536 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1409 (111647 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1409 (100997 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 0, first atom 1110 (1216699 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 1, first atom 1110 (141039 -> 100000)
+Warn: 291 atom(s) hit accel clamp on step 2, first atom 0 (304935 -> 100000)
+Warn: 112 atom(s) hit accel clamp on step 3, first atom 315 (276233 -> 100000)
+Warn: 83 atom(s) hit accel clamp on step 4, first atom 236 (139033 -> 100000)
+Warn: 84 atom(s) hit accel clamp on step 5, first atom 767 (132611 -> 100000)
+Warn: 91 atom(s) hit accel clamp on step 6, first atom 255 (139663 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 7, first atom 255 (119707 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 8, first atom 443 (115381 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 9, first atom 510 (109131 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 10, first atom 510 (143326 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 11, first atom 948 (204700 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 12, first atom 543 (157993 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 13, first atom 418 (123311 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 14, first atom 413 (155890 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 15, first atom 423 (158238 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 16, first atom 1076 (124122 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 17, first atom 427 (108558 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 18, first atom 429 (113774 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 19, first atom 1012 (139585 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 20, first atom 421 (205366 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 21, first atom 242 (128819 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 22, first atom 796 (178915 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 23, first atom 929 (144463 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 24, first atom 796 (367540 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 25, first atom 779 (170485 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 26, first atom 64 (135028 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 27, first atom 949 (134508 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 28, first atom 1110 (110877 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 29, first atom 421 (233159 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 30, first atom 421 (160350 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 31, first atom 1130 (216251 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 32, first atom 1127 (108499 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 33, first atom 774 (208085 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 34, first atom 774 (129210 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 35, first atom 948 (158696 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 36, first atom 1131 (326958 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 37, first atom 1131 (141439 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 38, first atom 1180 (100388 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 39, first atom 1129 (133749 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 40, first atom 435 (133802 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 41, first atom 423 (131325 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 42, first atom 1104 (109621 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 43, first atom 1265 (625320 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 44, first atom 951 (137943 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 45, first atom 1266 (256659 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 46, first atom 1095 (2220842 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 47, first atom 422 (202381 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 48, first atom 1110 (100356 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 49, first atom 1245 (106647 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 50, first atom 1123 (131881 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 51, first atom 1105 (160336 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 52, first atom 1318 (235547 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 53, first atom 1240 (115131 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 54, first atom 1240 (117283 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 55, first atom 776 (148766 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 56, first atom 1319 (275290 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 57, first atom 1261 (122596 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 58, first atom 1265 (172880 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 59, first atom 1318 (158578 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 60, first atom 1258 (145951 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 61, first atom 1407 (198607 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 62, first atom 422 (135172 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 63, first atom 1668 (114623 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 64, first atom 1396 (129443 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1411 (132930 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1404 (129415 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 67, first atom 1681 (104358 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 68, first atom 1398 (117989 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 69, first atom 1402 (132338 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 70, first atom 1402 (215939 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 71, first atom 1402 (163597 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 72, first atom 1678 (148417 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1812 (175305 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1697 (139380 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 75, first atom 1412 (196924 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 76, first atom 1397 (108678 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 77, first atom 1406 (121591 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1678 (126737 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1412 (189409 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1689 (123114 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 82, first atom 1412 (206112 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 84, first atom 1404 (118386 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1689 (131232 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 779 (110108 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1683 (104391 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1275 (108100 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 93, first atom 1406 (549100 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 94, first atom 1406 (109179 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1681 (370549 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1804 (135170 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1804 (120536 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 99, first atom 775 (590772 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 102, first atom 1680 (134870 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 105, first atom 1405 (273077 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 106, first atom 1405 (132039 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1570 (197173 -> 100000)
+Warn: 330 atom(s) hit accel clamp on step 7, first atom 0 (304402 -> 100000)
+Warn: 119 atom(s) hit accel clamp on step 8, first atom 155 (149560 -> 100000)
+Warn: 104 atom(s) hit accel clamp on step 9, first atom 34 (177192 -> 100000)
+Warn: 112 atom(s) hit accel clamp on step 10, first atom 34 (153738 -> 100000)
+Warn: 105 atom(s) hit accel clamp on step 11, first atom 34 (101441 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 12, first atom 33 (344972 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 13, first atom 28 (162085 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 14, first atom 34 (188487 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 15, first atom 28 (107835 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 16, first atom 37 (179975 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 17, first atom 34 (118053 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 18, first atom 771 (173498 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 19, first atom 48 (365944 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 20, first atom 1104 (109601 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 21, first atom 770 (158721 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 22, first atom 218 (147020 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 23, first atom 423 (122967 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 24, first atom 949 (157108 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 25, first atom 216 (114893 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 26, first atom 769 (116434 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 27, first atom 1106 (122454 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 28, first atom 1090 (341478 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 29, first atom 774 (177545 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 30, first atom 49 (122015 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 31, first atom 1102 (173163 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 32, first atom 1079 (148536 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 33, first atom 771 (241145 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 34, first atom 771 (104390 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 35, first atom 771 (111203 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 36, first atom 771 (347602 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 37, first atom 771 (106319 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 38, first atom 1100 (122643 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 39, first atom 1100 (110396 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 40, first atom 1111 (551705 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 41, first atom 931 (123634 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 42, first atom 1083 (143694 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 43, first atom 424 (101131 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 44, first atom 947 (152638 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 45, first atom 948 (205538 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 46, first atom 216 (112707 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 47, first atom 1105 (110248 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 48, first atom 35 (132370 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 49, first atom 35 (127631 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 50, first atom 35 (126349 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 51, first atom 1106 (101960 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 52, first atom 929 (179430 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 53, first atom 216 (188482 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 54, first atom 1106 (111683 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 55, first atom 772 (433259 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 56, first atom 779 (188086 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 57, first atom 929 (108844 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 58, first atom 1111 (118867 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 59, first atom 219 (186618 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 60, first atom 213 (127056 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 61, first atom 1199 (128064 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 62, first atom 771 (186664 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 63, first atom 1111 (109937 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 64, first atom 1111 (232989 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 65, first atom 1201 (100506 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 66, first atom 950 (112173 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 67, first atom 774 (112885 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 68, first atom 1111 (261846 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 69, first atom 779 (234728 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 70, first atom 774 (127963 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 71, first atom 1099 (124945 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 72, first atom 774 (181278 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 73, first atom 1254 (337192 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 74, first atom 1100 (118074 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 75, first atom 1100 (101343 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 76, first atom 1254 (107993 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 77, first atom 1107 (181711 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 78, first atom 1688 (226575 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 79, first atom 1698 (186013 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 80, first atom 1105 (146200 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1670 (130678 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 82, first atom 1675 (160316 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 83, first atom 948 (209512 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 84, first atom 779 (105199 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 85, first atom 1105 (111951 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 86, first atom 1604 (176748 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 87, first atom 1105 (102382 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 88, first atom 1085 (134936 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 89, first atom 772 (183911 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 90, first atom 1112 (529251 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 91, first atom 949 (141103 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 92, first atom 779 (253314 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 93, first atom 1111 (204886 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 94, first atom 1111 (272607 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 95, first atom 1688 (213298 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 96, first atom 1686 (116217 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1812 (216689 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 98, first atom 1217 (110490 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 99, first atom 1084 (123995 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 100, first atom 1687 (2121721 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 101, first atom 1687 (665371 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 104, first atom 1692 (209966 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 106, first atom 1685 (124098 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 108, first atom 1685 (139861 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 109, first atom 1685 (109709 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 110, first atom 1250 (113891 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 111, first atom 1106 (133050 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 112, first atom 1105 (110707 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 114, first atom 1254 (101224 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 115, first atom 1686 (295954 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 116, first atom 1686 (108602 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 118, first atom 1686 (126789 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 119, first atom 1826 (139374 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 120, first atom 1685 (1192806 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 121, first atom 1685 (126119 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 122, first atom 1685 (118465 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 123, first atom 1685 (183780 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 127, first atom 1685 (130797 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 129, first atom 1106 (117078 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 130, first atom 1685 (125677 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 131, first atom 1106 (176827 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 132, first atom 1106 (157264 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 133, first atom 1685 (201345 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 136, first atom 1685 (119246 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 143, first atom 1813 (122862 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 144, first atom 1823 (133560 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 147, first atom 1823 (101433 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 162, first atom 1822 (100876 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 0, first atom 1110 (1323769 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1110 (186506 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1110 (289081 -> 100000)
+Warn: 291 atom(s) hit accel clamp on step 3, first atom 0 (305183 -> 100000)
+Warn: 112 atom(s) hit accel clamp on step 4, first atom 315 (277480 -> 100000)
+Warn: 83 atom(s) hit accel clamp on step 5, first atom 236 (100183 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 6, first atom 779 (109692 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 7, first atom 315 (278512 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 8, first atom 734 (102644 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 9, first atom 443 (115045 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 10, first atom 777 (102822 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 11, first atom 510 (116245 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 12, first atom 424 (113674 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 13, first atom 1198 (116657 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 14, first atom 1080 (111635 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 15, first atom 325 (162752 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 16, first atom 423 (160091 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 17, first atom 772 (180566 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 18, first atom 429 (114926 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 19, first atom 429 (123004 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 20, first atom 422 (174073 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 21, first atom 998 (133542 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 22, first atom 998 (122385 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 23, first atom 778 (139314 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 24, first atom 979 (349855 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 25, first atom 443 (123866 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 26, first atom 1254 (105979 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 27, first atom 1101 (153956 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 28, first atom 429 (106418 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 29, first atom 430 (101147 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 30, first atom 418 (265299 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 31, first atom 418 (125944 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 32, first atom 1180 (145228 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 33, first atom 1271 (139371 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 34, first atom 425 (194443 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 35, first atom 948 (192170 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 36, first atom 775 (167463 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 37, first atom 1265 (201053 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 38, first atom 421 (107221 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 39, first atom 1220 (121000 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 40, first atom 419 (136207 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 41, first atom 1404 (1484964 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 42, first atom 1094 (108451 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 43, first atom 421 (198279 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 44, first atom 1094 (139128 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 45, first atom 419 (138202 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 46, first atom 1087 (137206 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 47, first atom 1087 (142403 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 48, first atom 1077 (120627 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 49, first atom 1077 (145079 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 50, first atom 1406 (499165 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 51, first atom 1087 (465095 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 52, first atom 772 (201804 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 53, first atom 779 (175355 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 54, first atom 1088 (102104 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1683 (100567 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 56, first atom 1253 (116373 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 57, first atom 1235 (148124 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 58, first atom 1399 (102586 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1556 (106282 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 60, first atom 773 (138352 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 61, first atom 1257 (107103 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 62, first atom 1243 (128812 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1406 (259941 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 64, first atom 1676 (202700 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1669 (172368 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 66, first atom 1241 (100033 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 67, first atom 1250 (106694 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1854 (127954 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 69, first atom 1386 (215618 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 70, first atom 397 (352966 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1666 (100384 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 72, first atom 1386 (103945 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 73, first atom 1387 (125446 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1235 (104431 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1404 (112736 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 76, first atom 1404 (113773 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 946 (125128 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 78, first atom 599 (259592 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 79, first atom 946 (262986 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 81, first atom 1323 (113686 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 82, first atom 948 (175464 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 83, first atom 1228 (116003 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 84, first atom 1002 (133053 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 85, first atom 1056 (111451 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 86, first atom 1404 (131437 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 87, first atom 1056 (162398 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 88, first atom 1410 (175148 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 89, first atom 1169 (938721 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 90, first atom 1169 (649901 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 91, first atom 1384 (173875 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 92, first atom 803 (348502 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 93, first atom 689 (348244 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 94, first atom 693 (109483 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 95, first atom 1204 (301408 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 96, first atom 993 (112682 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 97, first atom 699 (140978 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 98, first atom 0 (203735 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 99, first atom 1204 (196845 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 100, first atom 1447 (104231 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 101, first atom 1530 (147015 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 102, first atom 1609 (135261 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 103, first atom 292 (198391 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 104, first atom 1324 (1207814 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 105, first atom 1319 (150676 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 106, first atom 1324 (242885 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 107, first atom 1095 (802044 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 108, first atom 1325 (210910 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 109, first atom 332 (192313 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 110, first atom 1089 (124919 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 111, first atom 1089 (151280 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 112, first atom 1075 (114430 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 113, first atom 1089 (178161 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 114, first atom 1330 (197278 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 115, first atom 1083 (127437 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 116, first atom 1074 (104347 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 117, first atom 1083 (349780 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 118, first atom 1083 (1273941 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 119, first atom 1083 (114891 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 120, first atom 423 (101288 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 121, first atom 1075 (166374 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 122, first atom 1083 (188915 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 123, first atom 1083 (203232 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 124, first atom 1609 (226618 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 125, first atom 1308 (124580 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 126, first atom 1095 (822159 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 127, first atom 1083 (107024 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 128, first atom 1097 (140894 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 129, first atom 908 (136867 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 130, first atom 905 (175825 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 131, first atom 905 (154390 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 132, first atom 1097 (118005 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 133, first atom 1616 (895553 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 134, first atom 1481 (1742267 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 135, first atom 1081 (179867 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 136, first atom 560 (118263 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 137, first atom 1505 (358104 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 138, first atom 258 (260998 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 139, first atom 1506 (147321 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 140, first atom 1275 (213583 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 141, first atom 532 (262014 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 142, first atom 718 (351155 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 143, first atom 567 (199172 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 144, first atom 1081 (108531 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 145, first atom 406 (345642 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 146, first atom 426 (344117 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 147, first atom 407 (180452 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 148, first atom 1097 (643393 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 149, first atom 1307 (580827 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 150, first atom 326 (101302 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 151, first atom 157 (297277 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 152, first atom 232 (214310 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 153, first atom 313 (152169 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 154, first atom 9 (156685 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 155, first atom 183 (118694 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 156, first atom 296 (168074 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 157, first atom 965 (260559 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 158, first atom 304 (242153 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 159, first atom 1088 (395243 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 160, first atom 686 (122838 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 161, first atom 253 (149836 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 162, first atom 254 (173199 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 163, first atom 1015 (345344 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 164, first atom 52 (346993 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 165, first atom 60 (211216 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 166, first atom 18 (118628 -> 100000)
+Warn: 92 atom(s) hit accel clamp on step 167, first atom 312 (148613 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 168, first atom 14 (347965 -> 100000)
+Warn: 101 atom(s) hit accel clamp on step 169, first atom 128 (160894 -> 100000)
+Warn: 108 atom(s) hit accel clamp on step 170, first atom 52 (491323 -> 100000)
+Warn: 121 atom(s) hit accel clamp on step 171, first atom 191 (180295 -> 100000)
+Warn: 114 atom(s) hit accel clamp on step 172, first atom 56 (255931 -> 100000)
+Warn: 133 atom(s) hit accel clamp on step 173, first atom 325 (228536 -> 100000)
+Warn: 134 atom(s) hit accel clamp on step 174, first atom 693 (211628 -> 100000)
+Warn: 149 atom(s) hit accel clamp on step 175, first atom 183 (286633 -> 100000)
+Warn: 152 atom(s) hit accel clamp on step 176, first atom 286 (191959 -> 100000)
+Warn: 177 atom(s) hit accel clamp on step 177, first atom 11 (161483 -> 100000)
+Warn: 173 atom(s) hit accel clamp on step 178, first atom 70 (164675 -> 100000)
+Warn: 188 atom(s) hit accel clamp on step 179, first atom 103 (144482 -> 100000)
+Warn: 219 atom(s) hit accel clamp on step 180, first atom 105 (356591 -> 100000)
+Warn: 254 atom(s) hit accel clamp on step 181, first atom 15 (125111 -> 100000)
+Warn: 277 atom(s) hit accel clamp on step 182, first atom 0 (265362 -> 100000)
+Warn: 307 atom(s) hit accel clamp on step 183, first atom 0 (145687 -> 100000)
+Warn: 324 atom(s) hit accel clamp on step 184, first atom 16 (134401 -> 100000)
+Warn: 349 atom(s) hit accel clamp on step 185, first atom 0 (181436 -> 100000)
+Warn: 393 atom(s) hit accel clamp on step 186, first atom 11 (132720 -> 100000)
+Warn: 422 atom(s) hit accel clamp on step 187, first atom 16 (271917 -> 100000)
+Warn: 449 atom(s) hit accel clamp on step 188, first atom 0 (301151 -> 100000)
+Warn: 470 atom(s) hit accel clamp on step 189, first atom 77 (269711 -> 100000)
+Warn: 526 atom(s) hit accel clamp on step 190, first atom 6 (127320 -> 100000)
+Warn: 554 atom(s) hit accel clamp on step 191, first atom 4 (445407 -> 100000)
+Warn: 647 atom(s) hit accel clamp on step 192, first atom 20 (125029 -> 100000)
+Warn: 725 atom(s) hit accel clamp on step 193, first atom 0 (121508 -> 100000)
+Warn: 746 atom(s) hit accel clamp on step 194, first atom 0 (300175 -> 100000)
+Warn: 823 atom(s) hit accel clamp on step 195, first atom 1 (149192 -> 100000)
+Warn: 851 atom(s) hit accel clamp on step 196, first atom 22 (358997 -> 100000)
+Warn: 911 atom(s) hit accel clamp on step 197, first atom 0 (300362 -> 100000)
+Warn: 960 atom(s) hit accel clamp on step 198, first atom 1 (237206 -> 100000)
+Warn: 1034 atom(s) hit accel clamp on step 199, first atom 0 (299511 -> 100000)
+Warn: 1034 atom(s) hit accel clamp on step 200, first atom 0 (297787 -> 100000)
+Warn: 1098 atom(s) hit accel clamp on step 201, first atom 3 (102086 -> 100000)
+Warn: 1164 atom(s) hit accel clamp on step 202, first atom 3 (194190 -> 100000)
+Warn: 1216 atom(s) hit accel clamp on step 203, first atom 0 (298840 -> 100000)
+Warn: 1227 atom(s) hit accel clamp on step 204, first atom 1 (336919 -> 100000)
+Warn: 1236 atom(s) hit accel clamp on step 205, first atom 5 (477061 -> 100000)
+Warn: 1318 atom(s) hit accel clamp on step 206, first atom 0 (295092 -> 100000)
+Warn: 1279 atom(s) hit accel clamp on step 207, first atom 0 (303267 -> 100000)
+Warn: 1281 atom(s) hit accel clamp on step 208, first atom 1 (103206 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.79 Cell vol: 202.18 (ų / 1,000). Dims: 56.14839:.2 x 62.17 x 57.92 Å
+Added 5925 / 5925 solvent mols in 362 ms. Used 49338 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42461 ms
+Warn: 37 atom(s) hit accel clamp on step 0, first atom 1101 (923557 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 1, first atom 1366 (123934 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 2, first atom 1106 (192195 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1396 (116922 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1867 (140763 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1698 (120939 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1698 (296009 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1698 (122644 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 14, first atom 1698 (331151 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1698 (133012 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 17, first atom 1698 (122509 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1698 (202314 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1698 (210848 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.41 Cell vol: 200.82 (ų / 1,000). Dims: 56.14839:.2 x 62.15 x 57.54 Å
+Added 5811 / 5879 solvent mols in 403 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41676 ms
+Initializing solvent molecules...
+Solvent-free vol: 176.41 Cell vol: 200.82 (ų / 1,000). Dims: 56.14839:.2 x 62.15 x 57.54 Å
+Added 5811 / 5879 solvent mols in 381 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40169 ms
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1838 (103246 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1862 (112928 -> 100000)
+Warn: 324 atom(s) hit accel clamp on step 7, first atom 0 (304813 -> 100000)
+Warn: 116 atom(s) hit accel clamp on step 8, first atom 312 (277035 -> 100000)
+Warn: 93 atom(s) hit accel clamp on step 9, first atom 34 (177469 -> 100000)
+Warn: 108 atom(s) hit accel clamp on step 10, first atom 60 (111704 -> 100000)
+Warn: 100 atom(s) hit accel clamp on step 11, first atom 137 (142453 -> 100000)
+Warn: 84 atom(s) hit accel clamp on step 12, first atom 137 (171126 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 13, first atom 508 (101896 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 14, first atom 426 (100898 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 15, first atom 165 (201465 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 16, first atom 368 (357003 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 17, first atom 772 (120325 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 18, first atom 1073 (186525 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 19, first atom 419 (160044 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 20, first atom 315 (131824 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 21, first atom 133 (182086 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 22, first atom 770 (114231 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 23, first atom 1080 (345641 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 24, first atom 1081 (303402 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 25, first atom 1081 (109478 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 26, first atom 46 (128591 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 27, first atom 244 (136428 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 28, first atom 1081 (104703 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 29, first atom 944 (158668 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 30, first atom 1109 (730710 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 31, first atom 423 (156191 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 32, first atom 1109 (484446 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 33, first atom 1109 (117179 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 34, first atom 772 (166884 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 35, first atom 772 (152624 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 36, first atom 1092 (138600 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 37, first atom 173 (110423 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 38, first atom 766 (113299 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 39, first atom 1111 (210203 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 40, first atom 1081 (345759 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 41, first atom 1108 (353136 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 42, first atom 1108 (269313 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 43, first atom 1081 (118416 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 44, first atom 1175 (104651 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 45, first atom 172 (112199 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 46, first atom 169 (187087 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 47, first atom 771 (109362 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 48, first atom 766 (127172 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 49, first atom 927 (200577 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 50, first atom 764 (103639 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 51, first atom 1108 (153937 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 52, first atom 1215 (161761 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 53, first atom 1248 (108499 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 54, first atom 1109 (166271 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 55, first atom 509 (163748 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 56, first atom 1113 (152947 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 57, first atom 1177 (114532 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 58, first atom 1125 (145110 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 59, first atom 1217 (102330 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 60, first atom 766 (127150 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 61, first atom 766 (122336 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 62, first atom 1215 (181646 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 63, first atom 1216 (158863 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 64, first atom 1594 (128028 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 65, first atom 1215 (326229 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 66, first atom 1276 (127011 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1689 (114544 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 68, first atom 1216 (105566 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 69, first atom 1178 (111449 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 70, first atom 1218 (212034 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 71, first atom 1218 (385568 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1178 (101936 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 73, first atom 1206 (106323 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 74, first atom 1416 (107943 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 75, first atom 784 (177565 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 76, first atom 784 (161731 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 77, first atom 777 (131060 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 78, first atom 1114 (126949 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 79, first atom 1680 (129733 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 80, first atom 1219 (120837 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 81, first atom 1215 (101447 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1683 (218536 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 83, first atom 1103 (127554 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 84, first atom 1221 (265859 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1678 (112375 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 86, first atom 1551 (101179 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 87, first atom 1103 (145502 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 88, first atom 1099 (127978 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 89, first atom 1103 (107879 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 90, first atom 1405 (134308 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 91, first atom 1108 (140502 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 92, first atom 1671 (451516 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1676 (174241 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 94, first atom 1215 (100968 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 95, first atom 1099 (118841 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 96, first atom 1677 (108787 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1676 (154197 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1679 (142606 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 100, first atom 1670 (126470 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 101, first atom 1676 (105597 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 103, first atom 1678 (137224 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 104, first atom 1677 (282921 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 105, first atom 1218 (107910 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 106, first atom 1215 (120884 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 111, first atom 1682 (118294 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 113, first atom 1682 (278920 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 123, first atom 1682 (186487 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 124, first atom 1679 (138271 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 127, first atom 1687 (123814 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 133, first atom 1685 (122012 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 0, first atom 1108 (292600 -> 100000)
+Warn: 294 atom(s) hit accel clamp on step 1, first atom 0 (304660 -> 100000)
+Warn: 106 atom(s) hit accel clamp on step 2, first atom 312 (275592 -> 100000)
+Warn: 78 atom(s) hit accel clamp on step 3, first atom 415 (112671 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 4, first atom 764 (801804 -> 100000)
+Warn: 93 atom(s) hit accel clamp on step 5, first atom 252 (153707 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 6, first atom 312 (276444 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 7, first atom 767 (144336 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 8, first atom 507 (124657 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 9, first atom 507 (133797 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 10, first atom 418 (120698 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 11, first atom 540 (330001 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 12, first atom 1077 (388522 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 13, first atom 374 (126340 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 14, first atom 419 (143536 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 15, first atom 652 (101466 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 16, first atom 374 (165050 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 17, first atom 1133 (832856 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 18, first atom 945 (179478 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 19, first atom 945 (189147 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 20, first atom 1118 (146704 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 21, first atom 1209 (257575 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 22, first atom 945 (170259 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 23, first atom 773 (169657 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 24, first atom 1207 (114075 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 25, first atom 1187 (215655 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 26, first atom 1134 (219277 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 27, first atom 418 (205080 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 28, first atom 771 (152044 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 29, first atom 1121 (115979 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 30, first atom 767 (186783 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 31, first atom 415 (197119 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 32, first atom 1223 (402057 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 33, first atom 1261 (122901 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 34, first atom 1264 (149731 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 35, first atom 1362 (502424 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 36, first atom 418 (100781 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 37, first atom 1224 (115259 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 38, first atom 1115 (100693 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 39, first atom 1223 (126821 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 40, first atom 768 (193806 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 41, first atom 1264 (212472 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 42, first atom 1262 (125108 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 43, first atom 1361 (234800 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 44, first atom 1397 (100458 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 45, first atom 764 (205107 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 46, first atom 1394 (363489 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 47, first atom 776 (103594 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 48, first atom 1389 (101018 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 49, first atom 1389 (263571 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 50, first atom 1114 (100447 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 51, first atom 1116 (132463 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 52, first atom 1398 (293426 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 53, first atom 1398 (159614 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1476 (108443 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 55, first atom 1471 (129436 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 56, first atom 1102 (177555 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 57, first atom 1387 (132697 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1667 (366683 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 59, first atom 1262 (145892 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 60, first atom 767 (116754 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1795 (103551 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 62, first atom 1585 (101336 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 63, first atom 1262 (109023 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 64, first atom 1394 (101144 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1394 (115444 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1672 (126048 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 67, first atom 1262 (118302 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 68, first atom 768 (182352 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 69, first atom 1577 (142256 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 70, first atom 1656 (507931 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1652 (179776 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 72, first atom 1401 (131678 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 73, first atom 1663 (103875 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 74, first atom 1572 (107301 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 75, first atom 1397 (960381 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 76, first atom 1397 (481109 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1659 (129868 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1668 (118008 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 79, first atom 1532 (429944 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 80, first atom 1668 (178942 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1668 (672145 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1107 (473685 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1109 (237652 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1109 (104876 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1396 (114280 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 87, first atom 1364 (127063 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 88, first atom 1107 (101246 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 90, first atom 1395 (169022 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1668 (105812 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1673 (181787 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1676 (103000 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1673 (142923 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 97, first atom 1673 (109790 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 98, first atom 1668 (183846 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1674 (226305 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 101, first atom 1669 (130515 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 103, first atom 1688 (118908 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 105, first atom 1668 (103079 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 106, first atom 1389 (105617 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 107, first atom 1668 (113806 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 109, first atom 1668 (109675 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 110, first atom 1671 (158584 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 111, first atom 1667 (110823 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 112, first atom 1673 (119844 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 114, first atom 1668 (434872 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 115, first atom 1668 (119063 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 117, first atom 1682 (103260 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 119, first atom 1673 (253740 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 121, first atom 1668 (3792261 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 122, first atom 1668 (1038185 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 124, first atom 1673 (121534 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 126, first atom 1669 (101836 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 130, first atom 1673 (191430 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 137, first atom 1673 (127820 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 158, first atom 1673 (159383 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.82 Cell vol: 202.18 (ų / 1,000). Dims: 56.14839:.2 x 62.17 x 57.92 Å
+Added 5926 / 5926 solvent mols in 348 ms. Used 49349 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43603 ms
+Warn: 38 atom(s) hit accel clamp on step 0, first atom 1108 (182037 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 1, first atom 1439 (101699 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 2, first atom 1379 (106816 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1397 (106253 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.44 Cell vol: 200.82 (ų / 1,000). Dims: 56.14839:.2 x 62.15 x 57.54 Å
+Added 5811 / 5880 solvent mols in 346 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41165 ms
+Initializing solvent molecules...
+Solvent-free vol: 176.44 Cell vol: 200.82 (ų / 1,000). Dims: 56.14839:.2 x 62.15 x 57.54 Å
+Added 5811 / 5880 solvent mols in 354 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42065 ms
+Warn: 12 atom(s) hit accel clamp on step 0, first atom 1109 (290003 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1208 (152496 -> 100000)
+Warn: 297 atom(s) hit accel clamp on step 2, first atom 0 (304762 -> 100000)
+Warn: 112 atom(s) hit accel clamp on step 3, first atom 312 (276541 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 4, first atom 233 (249199 -> 100000)
+Warn: 83 atom(s) hit accel clamp on step 5, first atom 764 (126762 -> 100000)
+Warn: 98 atom(s) hit accel clamp on step 6, first atom 252 (153590 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 7, first atom 252 (163186 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 8, first atom 775 (226439 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 9, first atom 792 (376039 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 10, first atom 507 (112578 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 11, first atom 945 (200771 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 12, first atom 1098 (112006 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 13, first atom 245 (160159 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 14, first atom 772 (158855 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 15, first atom 374 (121461 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 16, first atom 374 (201776 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 17, first atom 374 (426335 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 18, first atom 426 (164768 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 19, first atom 426 (115593 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 20, first atom 364 (129320 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 21, first atom 768 (102850 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 22, first atom 373 (183434 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 23, first atom 231 (131339 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 24, first atom 945 (112260 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 25, first atom 769 (385595 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 26, first atom 769 (276936 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 27, first atom 776 (396173 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 28, first atom 771 (117617 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 29, first atom 771 (127224 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 30, first atom 1227 (264348 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 31, first atom 939 (100135 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 32, first atom 767 (145305 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 33, first atom 768 (167957 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 34, first atom 236 (128207 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 35, first atom 1227 (129939 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 36, first atom 946 (157622 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 37, first atom 1257 (172384 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 38, first atom 1225 (120555 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 39, first atom 1224 (190540 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 40, first atom 1225 (101591 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 41, first atom 1224 (105688 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 42, first atom 768 (221212 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 43, first atom 768 (198550 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 44, first atom 758 (132979 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 45, first atom 767 (176390 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 46, first atom 767 (169171 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 47, first atom 767 (101788 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 48, first atom 944 (107858 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 49, first atom 1233 (161167 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 50, first atom 1354 (130877 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 51, first atom 1354 (102331 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 52, first atom 1258 (138155 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 53, first atom 1396 (122704 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 54, first atom 931 (195299 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 55, first atom 1657 (103620 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 56, first atom 1698 (115727 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 57, first atom 1669 (103743 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 58, first atom 1227 (128283 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 59, first atom 758 (124233 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1668 (111013 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 61, first atom 1550 (114315 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 62, first atom 1258 (123304 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 63, first atom 767 (181708 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 64, first atom 767 (182651 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 65, first atom 1674 (120154 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1499 (115417 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 67, first atom 764 (127344 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 68, first atom 1404 (159146 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 69, first atom 1404 (111957 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 70, first atom 1668 (241735 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 71, first atom 776 (178497 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 72, first atom 1673 (264953 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 73, first atom 1266 (128002 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 74, first atom 1257 (101211 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 75, first atom 1675 (122343 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 76, first atom 1675 (236135 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1677 (111317 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1675 (104906 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1669 (235889 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 80, first atom 1670 (119511 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1674 (103116 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 82, first atom 1554 (115812 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 83, first atom 772 (119710 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 84, first atom 1673 (104006 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 85, first atom 1668 (103378 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 86, first atom 1668 (185182 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1668 (289305 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 88, first atom 1813 (143655 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1848 (100777 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1669 (103957 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1558 (115069 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1689 (105068 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1404 (109854 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 98, first atom 1690 (148369 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 101, first atom 1672 (102257 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 102, first atom 1672 (137049 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 104, first atom 1670 (209577 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 107, first atom 1854 (106357 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 132, first atom 1675 (113783 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.84 Cell vol: 202.18 (ų / 1,000). Dims: 56.14839:.2 x 62.17 x 57.92 Å
+Added 5927 / 5927 solvent mols in 376 ms. Used 49334 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42911 ms
+Warn: 34 atom(s) hit accel clamp on step 0, first atom 1073 (144900 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1469 (140621 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 2, first atom 1073 (136576 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 3, first atom 1073 (118879 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1439 (104162 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1551 (106903 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1108 (128416 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1691 (136504 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.46 Cell vol: 200.82 (ų / 1,000). Dims: 56.14839:.2 x 62.15 x 57.54 Å
+Added 5814 / 5881 solvent mols in 349 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41665 ms
+Initializing solvent molecules...
+Solvent-free vol: 176.46 Cell vol: 200.82 (ų / 1,000). Dims: 56.14839:.2 x 62.15 x 57.54 Å
+Added 5814 / 5881 solvent mols in 342 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41559 ms
+=== [n45000] 7qf3 RL done  Wed Aug 19 12:11:42 CST 2026 ===
+=== [n45000] 6qqe RL start Wed Aug 19 12:11:42 CST 2026 ===
+Initializing solvent molecules...
+Solvent-free vol: 170.91 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5616 / 5696 solvent mols in 330 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39956 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1049 (101779 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 170.91 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5616 / 5696 solvent mols in 345 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 38961 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1075 (114292 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 170.92 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5616 / 5696 solvent mols in 343 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40239 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1253 (144907 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1897 (107248 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 170.91 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5616 / 5696 solvent mols in 337 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40609 ms
+Initializing solvent molecules...
+Solvent-free vol: 170.90 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5616 / 5696 solvent mols in 350 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40209 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1085 (104684 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1259 (168158 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1105 (109009 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 170.91 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5616 / 5696 solvent mols in 331 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39671 ms
+Initializing solvent molecules...
+Solvent-free vol: 170.91 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5616 / 5696 solvent mols in 333 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40485 ms
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1812 (111278 -> 100000)
+Warn: 135 atom(s) hit accel clamp on step 7, first atom 341 (101794 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 8, first atom 998 (119242 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 9, first atom 1021 (103676 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 10, first atom 1041 (110988 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 11, first atom 1320 (100481 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 12, first atom 1039 (176525 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 1036 (273367 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 14, first atom 1683 (117873 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 15, first atom 1356 (219703 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 16, first atom 1356 (164180 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1109 (118681 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 18, first atom 1364 (125483 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1065 (104408 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 20, first atom 1686 (115186 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1358 (117670 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1403 (122659 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1199 (134219 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1281 (144666 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1599 (107862 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1201 (103540 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1401 (125743 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1403 (103381 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1401 (160324 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1217 (235709 -> 100000)
+Warn: 137 atom(s) hit accel clamp on step 6, first atom 342 (114021 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 7, first atom 1036 (203217 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 8, first atom 1197 (140382 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 9, first atom 1071 (104009 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 10, first atom 1130 (103340 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 11, first atom 1039 (164626 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 12, first atom 1032 (187809 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 13, first atom 1676 (313024 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 1346 (238967 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1346 (276963 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 1105 (124881 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 17, first atom 1035 (102428 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1161 (142170 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 19, first atom 1345 (131322 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1355 (110393 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1196 (136465 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1105 (107019 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1412 (125378 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1345 (100433 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1008 (109276 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1416 (100366 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1035 (130967 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1035 (188638 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1035 (149052 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1615 (220032 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1035 (139016 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1615 (124641 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1342 (194738 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 170.85 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5615 / 5694 solvent mols in 326 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39435 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1257 (104958 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 170.83 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5615 / 5693 solvent mols in 325 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40036 ms
+Initializing solvent molecules...
+Solvent-free vol: 170.83 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5615 / 5693 solvent mols in 326 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 38905 ms
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 1055 (117138 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 170.83 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5615 / 5693 solvent mols in 332 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39844 ms
+Initializing solvent molecules...
+Solvent-free vol: 170.83 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5615 / 5693 solvent mols in 326 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39460 ms
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1261 (237054 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1796 (102714 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1796 (113843 -> 100000)
+Warn: 145 atom(s) hit accel clamp on step 6, first atom 341 (118668 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 7, first atom 1018 (139847 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 8, first atom 1018 (110846 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 9, first atom 373 (114706 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 10, first atom 1181 (160310 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 11, first atom 1109 (130823 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 12, first atom 1033 (299712 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 1033 (121194 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 14, first atom 1281 (111379 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 15, first atom 1353 (155622 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 16, first atom 1281 (164350 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 17, first atom 1281 (119152 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1367 (197963 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 1365 (179338 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 20, first atom 1411 (110595 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1198 (128505 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1368 (129856 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1367 (128292 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1348 (262561 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1348 (938600 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1365 (587027 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1353 (132788 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1404 (111022 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1009 (100964 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1348 (115529 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1347 (101205 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1359 (107801 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1365 (147665 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1365 (142177 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1365 (239469 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1365 (204103 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1365 (119208 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 170.92 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5619 / 5696 solvent mols in 328 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39037 ms
+Initializing solvent molecules...
+Solvent-free vol: 170.91 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5619 / 5696 solvent mols in 335 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40079 ms
+Initializing solvent molecules...
+Solvent-free vol: 170.89 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5619 / 5696 solvent mols in 372 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 38846 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1087 (117738 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 170.89 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5619 / 5696 solvent mols in 337 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40564 ms
+Initializing solvent molecules...
+Solvent-free vol: 170.89 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5619 / 5696 solvent mols in 323 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39269 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1077 (101724 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 170.91 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5619 / 5696 solvent mols in 362 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41552 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1261 (204598 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 170.89 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5619 / 5696 solvent mols in 327 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39899 ms
+Initializing solvent molecules...
+Solvent-free vol: 170.89 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5619 / 5696 solvent mols in 332 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39091 ms
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1225 (334811 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1225 (106195 -> 100000)
+Warn: 149 atom(s) hit accel clamp on step 3, first atom 334 (104457 -> 100000)
+Warn: 78 atom(s) hit accel clamp on step 4, first atom 1042 (202470 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 5, first atom 394 (113630 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 6, first atom 394 (281341 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 7, first atom 1186 (106569 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 8, first atom 840 (103395 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 9, first atom 1038 (563580 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 10, first atom 1038 (452785 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 11, first atom 1038 (135530 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 1038 (159076 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 13, first atom 1112 (194243 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 1349 (106482 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 15, first atom 1068 (131874 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 1001 (102388 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 17, first atom 1355 (175234 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1203 (157227 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 19, first atom 1112 (127076 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 1041 (155938 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1358 (156994 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1348 (161078 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1348 (100278 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1892 (106850 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1353 (134448 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1892 (101524 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1357 (112431 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1350 (128059 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1429 (171600 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1429 (117520 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1041 (119503 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1356 (123214 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1356 (148633 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1429 (133337 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1350 (366789 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1353 (119644 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1430 (240672 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1348 (182397 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1348 (289099 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1347 (160894 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1058 (118156 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1358 (148597 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1303 (105803 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1016 (160310 -> 100000)
+Warn: 158 atom(s) hit accel clamp on step 1, first atom 347 (129446 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 2, first atom 1042 (201688 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 3, first atom 461 (174298 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 4, first atom 1043 (147136 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 5, first atom 1043 (103794 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 6, first atom 1045 (154837 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 7, first atom 1038 (205860 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 8, first atom 1016 (115174 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 9, first atom 1205 (104197 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 10, first atom 1266 (164836 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 11, first atom 1112 (137212 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 12, first atom 1165 (107446 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 13, first atom 1169 (105730 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 14, first atom 1636 (146411 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 15, first atom 1409 (111921 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 16, first atom 1434 (103362 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 17, first atom 1410 (114136 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1374 (125041 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 19, first atom 1041 (102299 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1200 (112513 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1432 (110147 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1355 (109583 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1435 (110630 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1355 (147151 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1355 (113648 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1338 (108146 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1812 (100135 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1355 (174614 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1635 (667914 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1359 (141053 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1435 (102160 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1359 (235504 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1355 (171583 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1358 (133093 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1633 (114022 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1633 (109793 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1432 (100080 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 170.96 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5619 / 5698 solvent mols in 350 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39479 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1055 (197002 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 170.94 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5619 / 5697 solvent mols in 326 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40011 ms
+Initializing solvent molecules...
+Solvent-free vol: 170.93 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5619 / 5697 solvent mols in 325 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40308 ms
+Warn: 12 atom(s) hit accel clamp on step 0, first atom 1092 (114633 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 7, first atom 1273 (112079 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 170.93 Cell vol: 195.53 (ų / 1,000). Dims: 61.130104:.2 x 53.93 x 59.31 Å
+Added 5619 / 5697 solvent mols in 322 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40972 ms
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1340 (142559 -> 100000)
+Warn: 171 atom(s) hit accel clamp on step 1, first atom 250 (574343 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 2, first atom 251 (191274 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 3, first atom 467 (174262 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 4, first atom 1011 (129583 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 5, first atom 1030 (104488 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 6, first atom 260 (185062 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 7, first atom 1009 (120244 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 8, first atom 1255 (107621 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 9, first atom 1288 (147251 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 10, first atom 1265 (128744 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 11, first atom 1030 (113684 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 1288 (101097 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 13, first atom 1075 (142459 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 14, first atom 1030 (103886 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 1007 (124883 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 16, first atom 1247 (271129 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 1210 (209838 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 18, first atom 1288 (106620 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 1048 (123117 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1246 (284931 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1007 (153857 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1379 (121506 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1246 (247203 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1210 (130777 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1247 (221199 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1247 (179560 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1246 (131492 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1440 (137301 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1816 (191792 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1048 (108370 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1048 (112739 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1249 (108121 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1439 (265304 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1439 (215979 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1441 (270325 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1639 (138107 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1440 (146541 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1438 (140397 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1269 (105863 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1247 (108836 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1352 (116801 -> 100000)
+Warn: 164 atom(s) hit accel clamp on step 1, first atom 250 (576365 -> 100000)
+Warn: 88 atom(s) hit accel clamp on step 2, first atom 251 (208577 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 3, first atom 473 (174533 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 4, first atom 1017 (120680 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 5, first atom 1036 (115316 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 6, first atom 260 (185461 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 7, first atom 1015 (150923 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 8, first atom 1261 (101460 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 9, first atom 1294 (130778 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 10, first atom 1271 (139292 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 11, first atom 1036 (108008 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 1054 (119085 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 13, first atom 1081 (126372 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 14, first atom 1014 (328841 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 15, first atom 1014 (200208 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1253 (239621 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1125 (163035 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 1452 (276017 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1054 (129340 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1252 (147979 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1213 (104353 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1256 (131950 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1451 (435734 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1216 (101232 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1828 (137097 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1389 (114945 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1213 (104955 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1451 (453293 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1054 (124137 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1451 (105395 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1054 (114546 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1451 (570168 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1054 (240613 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1391 (110284 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1444 (111682 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1433 (120795 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1433 (104892 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1054 (102393 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1433 (130540 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1252 (183800 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1770 (736270 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1770 (126278 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1770 (100171 -> 100000)
+Warn: 150 atom(s) hit accel clamp on step 8, first atom 383 (286506 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 9, first atom 1004 (118243 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 10, first atom 0 (104476 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 11, first atom 1004 (120612 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 12, first atom 1047 (111999 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 13, first atom 1027 (104171 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 14, first atom 1042 (267549 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1005 (151663 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 1004 (110337 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1004 (150841 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1005 (103637 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 19, first atom 1371 (487238 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 20, first atom 1371 (144254 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 1072 (107966 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1341 (141293 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 23, first atom 1341 (105753 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1370 (125262 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1371 (114096 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1004 (121053 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1415 (103056 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1341 (118724 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1410 (100325 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1372 (234514 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1045 (100709 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.40 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6007 / 6112 solvent mols in 357 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41667 ms
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1230 (120242 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.38 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6004 / 6112 solvent mols in 353 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41064 ms
+Initializing solvent molecules...
+Solvent-free vol: 183.38 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6004 / 6112 solvent mols in 355 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42797 ms
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 1137 (245116 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.38 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6004 / 6112 solvent mols in 357 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41069 ms
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1346 (343514 -> 100000)
+Warn: 170 atom(s) hit accel clamp on step 1, first atom 250 (577942 -> 100000)
+Warn: 88 atom(s) hit accel clamp on step 2, first atom 251 (190052 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 3, first atom 473 (174704 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 4, first atom 482 (106404 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 5, first atom 1036 (100360 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 6, first atom 1057 (104269 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 7, first atom 260 (111220 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 8, first atom 1194 (184304 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 9, first atom 1058 (100890 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 10, first atom 1269 (171822 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 11, first atom 1215 (267404 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 1269 (166798 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 13, first atom 1180 (145207 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 14, first atom 1455 (110193 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1015 (104936 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 16, first atom 1015 (107817 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 17, first atom 1450 (167072 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1269 (117072 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 19, first atom 1054 (128183 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1213 (110365 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1269 (181088 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1260 (154642 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1269 (129212 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1259 (211378 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1575 (104686 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1428 (136248 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1269 (110163 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1269 (148393 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1451 (150185 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1451 (119121 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1653 (160541 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1057 (100361 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1652 (123298 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1253 (198150 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1253 (127934 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1451 (130161 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1256 (101320 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1652 (102550 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1651 (124426 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1117 (160776 -> 100000)
+Warn: 167 atom(s) hit accel clamp on step 1, first atom 256 (578986 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 2, first atom 257 (193371 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 3, first atom 473 (174709 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 4, first atom 482 (117084 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 5, first atom 1036 (114431 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 6, first atom 1036 (121109 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 7, first atom 266 (106882 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 8, first atom 1191 (196900 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 9, first atom 1191 (110663 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 10, first atom 1271 (146845 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 11, first atom 1212 (169183 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 12, first atom 1125 (131546 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 13, first atom 1445 (232057 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 14, first atom 1338 (111466 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 1291 (105664 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 16, first atom 1014 (133021 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 17, first atom 1436 (101197 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1291 (109359 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 1443 (2080497 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1366 (103127 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1291 (153414 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1256 (214507 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1036 (121872 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1015 (115749 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1359 (109229 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1642 (332119 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1253 (121317 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1642 (252980 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1250 (106228 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1250 (299946 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1436 (115858 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1250 (137640 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1014 (114722 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1249 (120976 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1443 (211453 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1367 (133767 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1371 (101748 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1363 (103291 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1443 (323363 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1445 (103717 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1780 (1249938 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1780 (536438 -> 100000)
+Warn: 138 atom(s) hit accel clamp on step 7, first atom 346 (102084 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 8, first atom 1011 (133670 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 9, first atom 467 (160709 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 10, first atom 385 (130276 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 11, first atom 467 (100759 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 12, first atom 1052 (120776 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 1049 (209963 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 14, first atom 1372 (112340 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 15, first atom 1292 (118797 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 1292 (101743 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1292 (100619 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 1360 (116591 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 1079 (105710 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1438 (130207 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 1339 (105658 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1375 (101661 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1360 (104130 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1213 (116267 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1360 (160003 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1360 (171941 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1292 (109462 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1350 (118764 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1442 (168226 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1460 (121947 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1056 (103422 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1380 (128984 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1380 (200330 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1363 (107459 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1361 (143011 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1360 (100031 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1351 (103891 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1360 (196882 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1446 (105234 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1368 (214352 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1361 (149629 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1362 (110291 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1379 (120144 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1361 (223320 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 95, first atom 1361 (190265 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1346 (382017 -> 100000)
+Warn: 172 atom(s) hit accel clamp on step 1, first atom 250 (570948 -> 100000)
+Warn: 88 atom(s) hit accel clamp on step 2, first atom 251 (196966 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 3, first atom 473 (174600 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 4, first atom 482 (110662 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 5, first atom 1036 (116602 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 6, first atom 1036 (120213 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 7, first atom 1013 (102372 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 8, first atom 1194 (193902 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 9, first atom 1194 (105744 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 10, first atom 1269 (191842 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 11, first atom 1036 (100930 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 1125 (102167 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 13, first atom 1180 (116001 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 14, first atom 1036 (101225 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 1014 (371940 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1014 (137484 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 17, first atom 1450 (115714 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1294 (133986 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 1054 (111589 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 20, first atom 1811 (110076 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1294 (203198 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1269 (102396 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1257 (102170 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1259 (127558 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1294 (115518 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1260 (144358 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1917 (116112 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1451 (131843 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1652 (104540 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1253 (246996 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1253 (325299 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1451 (106937 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1255 (103634 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1272 (152952 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1272 (121993 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1814 (110372 -> 100000)
+Warn: 145 atom(s) hit accel clamp on step 6, first atom 346 (112264 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 7, first atom 1034 (102644 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 8, first atom 467 (174543 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 9, first atom 1054 (127357 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 10, first atom 1148 (106514 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 11, first atom 1034 (112632 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 1049 (196845 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 13, first atom 1192 (119232 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 1292 (127538 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 1371 (186783 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 1371 (118995 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 17, first atom 1496 (105510 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1253 (101085 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 1371 (135611 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1371 (107130 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1362 (129063 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1382 (148514 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1382 (134607 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1443 (106570 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1425 (103549 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1442 (101126 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1383 (201230 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1442 (120140 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1437 (104869 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1443 (117263 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1360 (179076 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1437 (116978 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.20 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6003 / 6106 solvent mols in 358 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43267 ms
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1089 (102204 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1775 (190924 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1820 (112992 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.19 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6001 / 6105 solvent mols in 366 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40885 ms
+Initializing solvent molecules...
+Solvent-free vol: 183.18 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6000 / 6105 solvent mols in 362 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43393 ms
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1274 (198918 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1254 (104159 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.19 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6001 / 6105 solvent mols in 359 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41473 ms
+Initializing solvent molecules...
+Solvent-free vol: 183.19 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6001 / 6105 solvent mols in 380 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43251 ms
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1347 (134275 -> 100000)
+Warn: 145 atom(s) hit accel clamp on step 1, first atom 250 (579083 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 2, first atom 251 (200042 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 3, first atom 1225 (128798 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 4, first atom 1025 (116736 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 5, first atom 1044 (105449 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 6, first atom 260 (248133 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 7, first atom 1023 (134586 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 8, first atom 1059 (101629 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 9, first atom 1301 (128017 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 10, first atom 1281 (149945 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 11, first atom 1222 (137986 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 12, first atom 1262 (116655 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 13, first atom 1135 (101487 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 14, first atom 1022 (317737 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 15, first atom 1022 (265259 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1260 (210295 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 17, first atom 1266 (132906 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 18, first atom 1062 (104964 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 19, first atom 1187 (128196 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 20, first atom 1497 (105597 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1021 (118528 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1265 (237427 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1263 (120546 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1044 (109013 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1261 (100962 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1654 (101281 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1917 (104701 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1263 (143140 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1263 (106411 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1123 (154322 -> 100000)
+Warn: 163 atom(s) hit accel clamp on step 1, first atom 256 (577009 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 2, first atom 257 (205364 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 3, first atom 479 (174244 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 4, first atom 488 (118947 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 5, first atom 1042 (115922 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 6, first atom 266 (247691 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 7, first atom 1021 (139878 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 8, first atom 1196 (104824 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 9, first atom 1296 (130843 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 10, first atom 1273 (160082 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 11, first atom 1217 (251267 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 12, first atom 1131 (101566 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 13, first atom 1343 (108867 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 14, first atom 1455 (111661 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 1019 (112996 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 1218 (224921 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1449 (108305 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1296 (107886 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 20, first atom 1263 (126017 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1019 (115770 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1260 (287331 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1258 (202042 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1446 (107596 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1020 (126758 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1452 (193704 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1452 (140695 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1255 (101020 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1060 (122924 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1452 (253621 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1379 (161088 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1451 (119991 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1258 (165464 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1258 (112243 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1347 (136183 -> 100000)
+Warn: 147 atom(s) hit accel clamp on step 1, first atom 250 (573159 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 2, first atom 251 (197686 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 3, first atom 1225 (116017 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 4, first atom 1025 (135251 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 5, first atom 1044 (118234 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 6, first atom 260 (232545 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 7, first atom 1023 (145777 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 8, first atom 1268 (125616 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 9, first atom 1301 (126887 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 10, first atom 1267 (107231 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 11, first atom 1044 (100308 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 1222 (138570 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 13, first atom 1089 (126904 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 14, first atom 1267 (115159 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1023 (120756 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1223 (477660 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 17, first atom 1023 (100595 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 18, first atom 1062 (119918 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 19, first atom 1223 (132762 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1223 (129452 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1813 (101195 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1265 (239716 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1223 (108477 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1022 (110914 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1917 (103010 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1917 (104650 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1260 (132310 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1261 (112695 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.20 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6001 / 6106 solvent mols in 357 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42564 ms
+Warn: 20 atom(s) hit accel clamp on step 0, first atom 1097 (130143 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1102 (129765 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.18 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5998 / 6105 solvent mols in 394 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42132 ms
+Initializing solvent molecules...
+Solvent-free vol: 183.18 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5998 / 6105 solvent mols in 394 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42436 ms
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 1250 (129354 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.19 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5999 / 6105 solvent mols in 409 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42084 ms
+Initializing solvent molecules...
+Solvent-free vol: 183.19 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5999 / 6105 solvent mols in 376 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41545 ms
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1131 (150793 -> 100000)
+Warn: 178 atom(s) hit accel clamp on step 1, first atom 256 (576687 -> 100000)
+Warn: 84 atom(s) hit accel clamp on step 2, first atom 257 (181762 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 3, first atom 268 (110683 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 4, first atom 496 (139615 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 5, first atom 1050 (115563 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 6, first atom 1050 (117963 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 7, first atom 266 (100075 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 8, first atom 528 (130161 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 9, first atom 1204 (103709 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 10, first atom 1279 (195025 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 11, first atom 542 (166388 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 12, first atom 1209 (103427 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 13, first atom 1387 (117939 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 14, first atom 267 (107302 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 1027 (166617 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 16, first atom 1226 (113850 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1391 (118694 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 18, first atom 1068 (122361 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1386 (177433 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 20, first atom 1268 (197076 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 1027 (151531 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1458 (125708 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 23, first atom 1266 (112037 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1269 (228810 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 25, first atom 1050 (110686 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1396 (145650 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 1262 (242756 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1304 (101468 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1920 (142912 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1384 (108637 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1268 (102199 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1387 (123488 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1266 (141669 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1266 (149494 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1263 (268319 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1266 (307397 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1027 (141424 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1270 (122305 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 45, first atom 1266 (355419 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1266 (111317 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1266 (142629 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1262 (172433 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1262 (189702 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1387 (105797 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1463 (129913 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1262 (142714 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1268 (109276 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1456 (112519 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.20 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6002 / 6106 solvent mols in 397 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42707 ms
+Warn: 17 atom(s) hit accel clamp on step 0, first atom 1103 (108214 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1247 (115391 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.19 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6000 / 6105 solvent mols in 367 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43297 ms
+Initializing solvent molecules...
+Solvent-free vol: 183.18 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5999 / 6105 solvent mols in 360 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41346 ms
+Warn: 20 atom(s) hit accel clamp on step 0, first atom 1146 (529931 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.18 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5999 / 6105 solvent mols in 393 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42622 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1804 (460710 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1838 (104687 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1838 (101302 -> 100000)
+Warn: 164 atom(s) hit accel clamp on step 5, first atom 132 (144286 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 6, first atom 416 (115500 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 7, first atom 417 (123417 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 8, first atom 496 (103013 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 9, first atom 1074 (101383 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 10, first atom 1195 (106526 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 11, first atom 1069 (216353 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 12, first atom 1392 (131488 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 13, first atom 1243 (127331 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 14, first atom 1365 (102438 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 15, first atom 1462 (142149 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 1407 (108479 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1270 (133613 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 1395 (317514 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 1395 (219989 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1462 (160575 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1392 (205290 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1394 (483670 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 1195 (120912 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1395 (119916 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1468 (114143 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1394 (132311 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1445 (101073 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1462 (223431 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1469 (163124 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1395 (511637 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1396 (104584 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1463 (224313 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1387 (117014 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1468 (161581 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1387 (153007 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 39, first atom 1391 (169491 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1387 (107813 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1395 (164931 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1468 (160897 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1387 (110671 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1463 (303048 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1405 (104917 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1462 (103086 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1398 (115628 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1463 (216857 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1468 (107000 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1468 (347127 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1474 (309679 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1463 (111452 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1398 (102080 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1391 (121771 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1391 (101102 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.20 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6001 / 6106 solvent mols in 365 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42549 ms
+Warn: 16 atom(s) hit accel clamp on step 0, first atom 1112 (101838 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1791 (171141 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.17 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5998 / 6105 solvent mols in 375 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41843 ms
+Initializing solvent molecules...
+Solvent-free vol: 183.17 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5998 / 6105 solvent mols in 361 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42284 ms
+Warn: 18 atom(s) hit accel clamp on step 0, first atom 1104 (117438 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1163 (112551 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 10, first atom 1838 (105571 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.17 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5998 / 6105 solvent mols in 370 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42436 ms
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1097 (2754344 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1107 (106213 -> 100000)
+Warn: 173 atom(s) hit accel clamp on step 8, first atom 135 (149902 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 9, first atom 263 (184198 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 10, first atom 423 (148055 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 11, first atom 1041 (127394 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 12, first atom 1037 (135605 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 13, first atom 1078 (144245 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 14, first atom 1075 (209313 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 15, first atom 1075 (347984 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 16, first atom 1236 (139841 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 17, first atom 1278 (207576 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 18, first atom 1164 (105640 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 1245 (117078 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 20, first atom 427 (105379 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 21, first atom 1169 (113646 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1472 (119142 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1398 (575510 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 24, first atom 1038 (140662 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 1169 (116648 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 26, first atom 1290 (167207 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 27, first atom 1399 (300256 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1473 (2116138 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 29, first atom 1466 (150974 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 30, first atom 1274 (182990 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 31, first atom 1278 (712290 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1278 (112002 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1279 (110213 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1272 (144680 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1278 (173355 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 36, first atom 422 (115802 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1409 (111395 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1271 (119574 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1372 (142418 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 1364 (104121 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1413 (104878 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1410 (134806 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1392 (144696 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1295 (201205 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1803 (111835 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1454 (121848 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1276 (131895 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1803 (103214 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1276 (103131 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1472 (183573 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1472 (152971 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1275 (100126 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1394 (103643 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.20 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6001 / 6106 solvent mols in 415 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42935 ms
+Warn: 23 atom(s) hit accel clamp on step 0, first atom 1095 (4181267 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1794 (223499 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1114 (106084 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1114 (148145 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 7, first atom 1297 (106533 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.17 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5998 / 6105 solvent mols in 389 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41991 ms
+Initializing solvent molecules...
+Solvent-free vol: 183.17 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5998 / 6105 solvent mols in 383 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42569 ms
+Warn: 23 atom(s) hit accel clamp on step 0, first atom 1097 (4179422 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1097 (155555 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1097 (105555 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 7, first atom 1304 (124258 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.17 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5998 / 6105 solvent mols in 389 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42170 ms
+Warn: 17 atom(s) hit accel clamp on step 0, first atom 1097 (4183432 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1097 (125127 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1097 (111698 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.19 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5999 / 6105 solvent mols in 364 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42549 ms
+Initializing solvent molecules...
+Solvent-free vol: 183.19 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5999 / 6105 solvent mols in 360 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41674 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1104 (137863 -> 100000)
+Warn: 190 atom(s) hit accel clamp on step 1, first atom 147 (147325 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 2, first atom 272 (205317 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 3, first atom 502 (174384 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 4, first atom 502 (105752 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 5, first atom 1069 (115212 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 6, first atom 1069 (129124 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 1048 (144380 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 8, first atom 543 (132633 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 9, first atom 1315 (147234 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 10, first atom 1293 (194830 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 11, first atom 557 (132523 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 12, first atom 1087 (141242 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 13, first atom 1401 (1281209 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 14, first atom 1401 (186084 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 15, first atom 275 (114363 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 16, first atom 1047 (190774 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 503 (111090 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1047 (122287 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 19, first atom 1400 (130614 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 1046 (189755 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1046 (105701 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1278 (194268 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1473 (114309 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1473 (503411 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1401 (103335 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1467 (122644 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 1473 (115492 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1475 (138891 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 1467 (104234 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1375 (318209 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1393 (110218 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1393 (113290 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1337 (126416 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1048 (168410 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1048 (181613 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1468 (165665 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1397 (104791 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1376 (117036 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1393 (102663 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1668 (101696 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1478 (176573 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1397 (101350 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1478 (124261 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1478 (118439 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1478 (179997 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1478 (109882 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1467 (105930 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1468 (198364 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1467 (106291 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1478 (271330 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1478 (138604 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1515 (105407 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1473 (101597 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1473 (136763 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1473 (100458 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1467 (139938 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1467 (147775 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1473 (111802 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1474 (127088 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 0, first atom 1167 (4324666 -> 100000)
+Warn: 182 atom(s) hit accel clamp on step 1, first atom 59 (588193 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 2, first atom 60 (266518 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 3, first atom 60 (270964 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 4, first atom 60 (117481 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 5, first atom 69 (113909 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 6, first atom 66 (154853 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 1054 (129501 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 8, first atom 1116 (284042 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 9, first atom 1121 (120870 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 10, first atom 1121 (115122 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 11, first atom 1160 (170546 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 1208 (143604 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 13, first atom 1075 (114882 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 14, first atom 1053 (152651 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 15, first atom 1052 (113280 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 16, first atom 1116 (108982 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 1116 (129050 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 18, first atom 1108 (139658 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 19, first atom 1093 (108082 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 20, first atom 1405 (177695 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 21, first atom 1052 (103559 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1475 (440873 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1108 (104848 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1114 (102818 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1281 (125643 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1093 (215576 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1281 (100343 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1115 (181387 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1817 (363874 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1383 (209350 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1088 (102007 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1401 (129488 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1493 (143221 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1286 (119421 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 37, first atom 1465 (137622 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1493 (135353 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1405 (173010 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1384 (104695 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1475 (356858 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1475 (937217 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1475 (142372 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1498 (232031 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1498 (220928 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1407 (107611 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1382 (128938 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1480 (146365 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1498 (123890 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1477 (102546 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1410 (120719 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1495 (105289 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.20 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6002 / 6106 solvent mols in 357 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43042 ms
+Warn: 20 atom(s) hit accel clamp on step 0, first atom 1104 (230081 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 1, first atom 1112 (2386049 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1112 (118192 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1834 (101700 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.19 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6000 / 6105 solvent mols in 379 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42230 ms
+Initializing solvent molecules...
+Solvent-free vol: 183.17 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5999 / 6105 solvent mols in 368 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41575 ms
+Warn: 23 atom(s) hit accel clamp on step 0, first atom 1108 (156515 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 1, first atom 1531 (118023 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1298 (112409 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1847 (105440 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1406 (100973 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1860 (112904 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.17 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5999 / 6105 solvent mols in 368 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42029 ms
+Warn: 11 atom(s) hit accel clamp on step 0, first atom 1427 (115140 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1636 (189188 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1636 (108268 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1636 (126178 -> 100000)
+Warn: 194 atom(s) hit accel clamp on step 5, first atom 59 (528092 -> 100000)
+Warn: 84 atom(s) hit accel clamp on step 6, first atom 60 (195777 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 7, first atom 60 (267398 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 8, first atom 60 (113191 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 9, first atom 60 (113491 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 10, first atom 59 (134211 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 11, first atom 1092 (185041 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 12, first atom 1097 (101084 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 13, first atom 100 (108969 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 14, first atom 1111 (133887 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 15, first atom 1111 (174809 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 16, first atom 1109 (146909 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 1116 (114152 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 18, first atom 1109 (129989 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 19, first atom 1109 (436559 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 20, first atom 502 (114973 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 21, first atom 1109 (118425 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 22, first atom 1109 (100762 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 23, first atom 1112 (232911 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 24, first atom 1119 (589393 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 25, first atom 1116 (149367 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 26, first atom 1081 (130062 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1138 (152981 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 28, first atom 1111 (107739 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 29, first atom 1117 (149956 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 30, first atom 1123 (147261 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1119 (322548 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1119 (283802 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1111 (152580 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1435 (113973 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1119 (131692 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1119 (125117 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1111 (101145 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1068 (101146 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1111 (159090 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1112 (153810 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1485 (123464 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1115 (125051 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1111 (113248 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1112 (128204 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1111 (1274009 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1111 (547163 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 49, first atom 1112 (521841 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 50, first atom 1112 (748690 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1111 (100801 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1121 (104884 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1279 (124859 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1111 (104300 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1279 (118846 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1110 (131780 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1114 (311753 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1293 (131277 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1408 (147308 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1285 (114899 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1479 (155446 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1288 (140445 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1115 (116036 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1284 (101090 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1293 (729885 -> 100000)
+Warn: 209 atom(s) hit accel clamp on step 1, first atom 59 (590099 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 2, first atom 60 (272513 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 3, first atom 60 (267729 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 4, first atom 60 (104186 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 5, first atom 1100 (101247 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 6, first atom 892 (162999 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 7, first atom 74 (125938 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 8, first atom 1122 (115594 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 9, first atom 74 (124600 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 10, first atom 1120 (103226 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 11, first atom 1122 (115900 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 12, first atom 1240 (153841 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 13, first atom 1136 (106741 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 14, first atom 1121 (116908 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 15, first atom 1123 (146943 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 16, first atom 1119 (193449 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 17, first atom 77 (149400 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 18, first atom 1117 (178766 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 19, first atom 1098 (110460 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 20, first atom 1115 (104869 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 1125 (126331 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1416 (102689 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 23, first atom 1484 (233159 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 76 (109354 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 25, first atom 1114 (147550 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 1098 (114646 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1120 (152627 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 28, first atom 1114 (143884 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1122 (569564 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1115 (148040 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1115 (174860 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 32, first atom 1121 (617768 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 33, first atom 1122 (109922 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1123 (122030 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 35, first atom 1115 (162679 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1115 (172734 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1122 (211093 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1114 (156431 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1422 (116574 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1122 (1256463 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 41, first atom 1122 (448231 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 77 (129958 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1125 (194182 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1125 (144919 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1489 (119364 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1126 (146268 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1125 (143075 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1412 (658125 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1126 (154793 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1107 (111441 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 51, first atom 1143 (103452 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1123 (124686 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1411 (152397 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 54, first atom 1123 (100849 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1688 (104629 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1497 (153559 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1419 (103146 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1109 (189655 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1495 (124428 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1115 (111971 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1123 (110229 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1122 (146898 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1122 (101584 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 107, first atom 1123 (202124 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 108, first atom 1123 (126154 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.20 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6001 / 6106 solvent mols in 376 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42603 ms
+Warn: 20 atom(s) hit accel clamp on step 0, first atom 1114 (184763 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 1, first atom 1356 (101921 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.17 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5998 / 6105 solvent mols in 361 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40111 ms
+Initializing solvent molecules...
+Solvent-free vol: 183.17 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5998 / 6105 solvent mols in 367 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42512 ms
+Warn: 19 atom(s) hit accel clamp on step 0, first atom 1116 (185348 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1538 (118796 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1306 (103033 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.17 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 5998 / 6105 solvent mols in 362 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42692 ms
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1301 (715940 -> 100000)
+Warn: 219 atom(s) hit accel clamp on step 1, first atom 59 (587895 -> 100000)
+Warn: 91 atom(s) hit accel clamp on step 2, first atom 60 (271351 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 3, first atom 60 (267185 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 4, first atom 60 (105517 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 5, first atom 1108 (102928 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 6, first atom 900 (343650 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 7, first atom 1103 (274122 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 8, first atom 1103 (111955 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 9, first atom 74 (112204 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 10, first atom 1130 (112924 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 11, first atom 1130 (150810 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 12, first atom 1120 (120374 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 13, first atom 1148 (107273 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 14, first atom 1120 (256048 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 15, first atom 1127 (165090 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 16, first atom 1120 (280750 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 17, first atom 1120 (151084 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 18, first atom 1106 (183693 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 19, first atom 1125 (224279 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 20, first atom 1129 (122571 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 21, first atom 1262 (116956 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 521 (114537 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 23, first atom 1128 (102710 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 24, first atom 76 (126418 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 25, first atom 1128 (204807 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 26, first atom 1128 (165021 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 27, first atom 1319 (142307 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 28, first atom 1128 (103854 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1495 (119660 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1125 (108615 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 31, first atom 1119 (126209 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 32, first atom 1125 (141262 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1130 (251448 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1130 (204174 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1130 (262447 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1130 (126222 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 37, first atom 1132 (108197 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1122 (108145 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1123 (143140 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1122 (116828 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1122 (123962 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1122 (520972 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 43, first atom 1122 (166224 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1122 (124221 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1123 (127979 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1101 (112930 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1484 (194471 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 48, first atom 1133 (660643 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 49, first atom 1133 (275967 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1496 (170759 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1832 (106389 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1133 (489812 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1133 (295887 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1491 (220678 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1695 (131989 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 56, first atom 978 (101569 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 58, first atom 1122 (122868 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 59, first atom 980 (134573 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1870 (114634 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1911 (395591 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1480 (115753 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1910 (338788 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1909 (121883 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1421 (104704 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1910 (121283 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1503 (116059 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 68, first atom 1480 (108199 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 69, first atom 978 (177814 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 70, first atom 978 (172884 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 71, first atom 1910 (188636 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 72, first atom 978 (115691 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 73, first atom 1327 (127525 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 74, first atom 1327 (127229 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 75, first atom 1911 (890894 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 76, first atom 1912 (117796 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1922 (184562 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1912 (115306 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 79, first atom 1910 (107432 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1908 (918512 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 81, first atom 1908 (507521 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 82, first atom 1134 (106336 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 83, first atom 1908 (301553 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1910 (299041 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 87, first atom 1496 (135761 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1934 (143853 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 89, first atom 1911 (114761 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 90, first atom 1016 (252144 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 91, first atom 1226 (101872 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 92, first atom 1225 (704155 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 93, first atom 977 (116681 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 94, first atom 1105 (1381992 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 95, first atom 1105 (566141 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 96, first atom 1104 (120252 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 97, first atom 1105 (409210 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 98, first atom 1105 (118010 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 99, first atom 1103 (597514 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 100, first atom 1106 (104750 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 101, first atom 1106 (103557 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 102, first atom 1912 (102209 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 103, first atom 1118 (237993 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 104, first atom 1105 (134421 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 105, first atom 643 (152474 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 106, first atom 1103 (121709 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 107, first atom 1212 (101796 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 108, first atom 1104 (128299 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 109, first atom 1106 (773345 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 110, first atom 1104 (119352 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 111, first atom 1106 (226061 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 112, first atom 1104 (157986 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 113, first atom 1106 (180079 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 114, first atom 1106 (129299 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 115, first atom 1606 (217282 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 116, first atom 1186 (138882 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 117, first atom 1132 (133039 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 118, first atom 1132 (125274 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 119, first atom 1185 (111079 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 120, first atom 1131 (117338 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 121, first atom 1282 (177257 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 122, first atom 1176 (147284 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 123, first atom 1176 (115760 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 124, first atom 1176 (172405 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 125, first atom 1342 (410545 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 126, first atom 1342 (100009 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 127, first atom 1966 (345236 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 128, first atom 966 (134924 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 129, first atom 1342 (103500 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 130, first atom 1342 (119217 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 131, first atom 972 (113701 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 132, first atom 1082 (112309 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 133, first atom 1878 (122767 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 134, first atom 1080 (123683 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 135, first atom 1082 (116779 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 136, first atom 1227 (123665 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 137, first atom 1367 (599279 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 138, first atom 1080 (136802 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 139, first atom 1087 (104497 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 140, first atom 1087 (193864 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 141, first atom 1082 (231244 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 142, first atom 1082 (162692 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 143, first atom 1082 (235809 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 144, first atom 633 (177119 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 145, first atom 1582 (749210 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 146, first atom 1071 (161582 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 147, first atom 1581 (611121 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 148, first atom 1224 (109526 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 149, first atom 1106 (108066 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 150, first atom 1591 (105667 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 151, first atom 382 (230473 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 152, first atom 707 (150538 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 153, first atom 1094 (175206 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 154, first atom 1125 (409040 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 155, first atom 1121 (196123 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 156, first atom 1121 (152857 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 157, first atom 777 (116598 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 158, first atom 1063 (132433 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 159, first atom 406 (258748 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 160, first atom 1327 (1284166 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 161, first atom 935 (252227 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 162, first atom 1041 (299483 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 163, first atom 1104 (454214 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 164, first atom 689 (127785 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 165, first atom 1106 (247797 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 166, first atom 78 (302551 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 167, first atom 570 (116504 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 168, first atom 1106 (181308 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 169, first atom 350 (309293 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 170, first atom 1054 (133671 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 171, first atom 1097 (553917 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 172, first atom 1097 (117894 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 173, first atom 1358 (771523 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 174, first atom 1097 (314843 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 175, first atom 360 (176650 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 176, first atom 1049 (241206 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 177, first atom 1069 (331870 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 178, first atom 1106 (299395 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 179, first atom 1097 (114384 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 180, first atom 300 (169392 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 181, first atom 1056 (103044 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 182, first atom 117 (208827 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 183, first atom 1055 (157583 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 184, first atom 1068 (127051 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 185, first atom 67 (179497 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 186, first atom 1068 (120090 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 187, first atom 1105 (147654 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 188, first atom 709 (109805 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 189, first atom 378 (113126 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 190, first atom 1031 (160954 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 191, first atom 475 (118472 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 192, first atom 291 (118298 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 193, first atom 694 (348612 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 194, first atom 573 (100433 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 195, first atom 431 (213851 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 196, first atom 396 (181322 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 197, first atom 1058 (354605 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 198, first atom 1079 (155396 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 199, first atom 944 (150397 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 200, first atom 374 (263684 -> 100000)
+Warn: 81 atom(s) hit accel clamp on step 201, first atom 370 (137035 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 202, first atom 116 (144958 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 203, first atom 118 (243432 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 204, first atom 361 (133977 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 205, first atom 292 (100582 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 206, first atom 457 (126706 -> 100000)
+Warn: 88 atom(s) hit accel clamp on step 207, first atom 223 (131187 -> 100000)
+Warn: 92 atom(s) hit accel clamp on step 208, first atom 893 (100707 -> 100000)
+Warn: 100 atom(s) hit accel clamp on step 209, first atom 358 (189636 -> 100000)
+Warn: 119 atom(s) hit accel clamp on step 210, first atom 56 (262741 -> 100000)
+Warn: 119 atom(s) hit accel clamp on step 211, first atom 165 (261416 -> 100000)
+Warn: 135 atom(s) hit accel clamp on step 212, first atom 108 (317114 -> 100000)
+Warn: 144 atom(s) hit accel clamp on step 213, first atom 207 (326670 -> 100000)
+Warn: 142 atom(s) hit accel clamp on step 214, first atom 372 (266682 -> 100000)
+Warn: 126 atom(s) hit accel clamp on step 215, first atom 166 (290820 -> 100000)
+Warn: 166 atom(s) hit accel clamp on step 216, first atom 180 (179115 -> 100000)
+Warn: 166 atom(s) hit accel clamp on step 217, first atom 122 (112861 -> 100000)
+Warn: 165 atom(s) hit accel clamp on step 218, first atom 122 (292119 -> 100000)
+Warn: 197 atom(s) hit accel clamp on step 219, first atom 54 (348932 -> 100000)
+Warn: 226 atom(s) hit accel clamp on step 220, first atom 135 (117269 -> 100000)
+Warn: 247 atom(s) hit accel clamp on step 221, first atom 81 (164498 -> 100000)
+Warn: 263 atom(s) hit accel clamp on step 222, first atom 162 (264690 -> 100000)
+Warn: 286 atom(s) hit accel clamp on step 223, first atom 47 (126612 -> 100000)
+Warn: 350 atom(s) hit accel clamp on step 224, first atom 85 (297281 -> 100000)
+Warn: 345 atom(s) hit accel clamp on step 225, first atom 49 (117701 -> 100000)
+Warn: 373 atom(s) hit accel clamp on step 226, first atom 40 (181988 -> 100000)
+Warn: 437 atom(s) hit accel clamp on step 227, first atom 40 (154537 -> 100000)
+Warn: 489 atom(s) hit accel clamp on step 228, first atom 73 (344572 -> 100000)
+Warn: 504 atom(s) hit accel clamp on step 229, first atom 36 (350031 -> 100000)
+Warn: 539 atom(s) hit accel clamp on step 230, first atom 43 (208915 -> 100000)
+Warn: 561 atom(s) hit accel clamp on step 231, first atom 37 (152741 -> 100000)
+Warn: 626 atom(s) hit accel clamp on step 232, first atom 23 (112318 -> 100000)
+Warn: 683 atom(s) hit accel clamp on step 233, first atom 1 (352831 -> 100000)
+Warn: 751 atom(s) hit accel clamp on step 234, first atom 5 (352549 -> 100000)
+Warn: 794 atom(s) hit accel clamp on step 235, first atom 1 (348775 -> 100000)
+Warn: 911 atom(s) hit accel clamp on step 236, first atom 4 (330568 -> 100000)
+Warn: 921 atom(s) hit accel clamp on step 237, first atom 8 (309186 -> 100000)
+Warn: 1032 atom(s) hit accel clamp on step 238, first atom 5 (116739 -> 100000)
+Warn: 1095 atom(s) hit accel clamp on step 239, first atom 8 (297529 -> 100000)
+Warn: 1090 atom(s) hit accel clamp on step 240, first atom 12 (121898 -> 100000)
+Warn: 1145 atom(s) hit accel clamp on step 241, first atom 2 (179171 -> 100000)
+Warn: 1261 atom(s) hit accel clamp on step 242, first atom 2 (367825 -> 100000)
+Warn: 1297 atom(s) hit accel clamp on step 243, first atom 0 (297094 -> 100000)
+Warn: 1397 atom(s) hit accel clamp on step 244, first atom 0 (111880 -> 100000)
+Warn: 1384 atom(s) hit accel clamp on step 245, first atom 0 (330550 -> 100000)
+Warn: 1428 atom(s) hit accel clamp on step 246, first atom 1 (318138 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 1176 (4310892 -> 100000)
+Warn: 217 atom(s) hit accel clamp on step 1, first atom 59 (592986 -> 100000)
+Warn: 95 atom(s) hit accel clamp on step 2, first atom 60 (264213 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 3, first atom 60 (267795 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 4, first atom 60 (168519 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 5, first atom 1126 (361767 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 6, first atom 66 (154198 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 7, first atom 1063 (140050 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 8, first atom 1234 (131365 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 9, first atom 75 (105132 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 10, first atom 1129 (162450 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 11, first atom 1126 (141474 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 12, first atom 1169 (197524 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 13, first atom 216 (124380 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 14, first atom 1240 (229166 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 15, first atom 84 (105707 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 16, first atom 1062 (133776 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 17, first atom 1119 (119204 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 18, first atom 1127 (133122 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 19, first atom 216 (182031 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 20, first atom 1240 (311554 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 21, first atom 1131 (116979 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1290 (144233 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 23, first atom 1125 (114998 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 24, first atom 508 (201848 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 1131 (211120 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 26, first atom 1102 (120514 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 27, first atom 1120 (127753 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 28, first atom 1127 (102767 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1136 (100570 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 1314 (168230 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1102 (141822 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1833 (221312 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1235 (123507 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 34, first atom 1118 (104861 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 35, first atom 1126 (122217 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1127 (108731 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 37, first atom 1294 (108874 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1130 (106999 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1129 (245747 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1295 (192569 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1118 (292690 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 42, first atom 1118 (197746 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 43, first atom 1118 (653391 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1118 (323417 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1119 (111505 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1119 (149679 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1118 (115024 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1118 (1615419 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1118 (288840 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1118 (148269 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1118 (239754 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 53, first atom 1118 (185949 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1117 (110399 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1128 (111900 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 56, first atom 1118 (1791672 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1118 (998378 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1416 (112751 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1118 (141095 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1491 (104783 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1830 (103508 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 63, first atom 1118 (246261 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1118 (118451 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1421 (101006 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1118 (106670 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1413 (106611 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1118 (164631 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1490 (181682 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 98, first atom 1494 (115876 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 1431 (2284401 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1515 (517868 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1506 (116502 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1585 (222219 -> 100000)
+Warn: 178 atom(s) hit accel clamp on step 4, first atom 59 (562532 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 5, first atom 60 (216260 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 6, first atom 60 (269222 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 7, first atom 60 (130260 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 8, first atom 66 (108037 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 9, first atom 57 (133202 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 10, first atom 1109 (253623 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 11, first atom 1125 (201513 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 12, first atom 1128 (734623 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 13, first atom 1128 (109955 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 14, first atom 1128 (108446 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 15, first atom 1121 (124289 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 16, first atom 1121 (110093 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 1126 (288254 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 18, first atom 1133 (136547 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 19, first atom 1129 (173010 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 20, first atom 1128 (1077216 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 21, first atom 51 (142058 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 22, first atom 1124 (181879 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 23, first atom 1124 (249556 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 24, first atom 1122 (170127 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 25, first atom 1098 (125296 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 1098 (143915 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1135 (105728 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1306 (101918 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 29, first atom 1124 (121275 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1135 (140258 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1108 (124283 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 32, first atom 1122 (121277 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1123 (120249 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 1125 (102541 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1122 (426603 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1122 (239699 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 37, first atom 1122 (233244 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1136 (207703 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1128 (165427 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 40, first atom 72 (127156 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 41, first atom 1121 (302379 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1129 (204258 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 43, first atom 1123 (120575 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1131 (136079 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1483 (109764 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1139 (205193 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1128 (278915 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1128 (222755 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1128 (159192 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1107 (106074 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 51, first atom 1136 (105327 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1954 (181454 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 53, first atom 1121 (115142 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1141 (141495 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1137 (208218 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1132 (152168 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1129 (253056 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1129 (236997 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 59, first atom 71 (145775 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 60, first atom 71 (141169 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1118 (145830 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 62, first atom 71 (142469 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 63, first atom 71 (206648 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 64, first atom 71 (123987 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1128 (197893 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1129 (218337 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1128 (141252 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 68, first atom 1128 (134070 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 58 (112958 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1136 (113593 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1136 (215071 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 72, first atom 1128 (216898 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1136 (119503 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1136 (180779 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1128 (688440 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1128 (125051 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1130 (400557 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 79, first atom 1129 (1146440 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1129 (102427 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1141 (1932161 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 82, first atom 1137 (106492 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 83, first atom 1130 (102064 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1136 (1189150 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 86, first atom 1136 (272936 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 87, first atom 1138 (131462 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1137 (110092 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1128 (229590 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 90, first atom 1128 (159164 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1137 (201623 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 94, first atom 1128 (223067 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 95, first atom 1128 (512381 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 96, first atom 1128 (110389 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 97, first atom 1128 (395427 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 98, first atom 1128 (226480 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1143 (157256 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 101, first atom 1128 (249123 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 102, first atom 1128 (100060 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 103, first atom 1128 (304127 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 104, first atom 1139 (144404 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 107, first atom 1129 (181610 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 108, first atom 1140 (114969 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 109, first atom 1136 (104382 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 110, first atom 1129 (112921 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 112, first atom 1136 (160509 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 113, first atom 1136 (103608 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 114, first atom 1136 (101746 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 123, first atom 1136 (109598 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1722 (158993 -> 100000)
+Warn: 219 atom(s) hit accel clamp on step 1, first atom 59 (583654 -> 100000)
+Warn: 93 atom(s) hit accel clamp on step 2, first atom 60 (270947 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 3, first atom 60 (267583 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 4, first atom 60 (107800 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 5, first atom 1106 (108616 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 6, first atom 897 (354664 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 7, first atom 1065 (143077 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 8, first atom 1237 (114573 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 9, first atom 74 (168443 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 10, first atom 1131 (259083 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 11, first atom 1086 (100530 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 12, first atom 1118 (118045 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 13, first atom 1146 (221331 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 14, first atom 1086 (111690 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 15, first atom 275 (135717 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 16, first atom 1118 (105244 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 17, first atom 503 (133259 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 18, first atom 1123 (194320 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 19, first atom 1104 (125261 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 20, first atom 1128 (977199 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 21, first atom 1063 (141164 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 22, first atom 1090 (247407 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 23, first atom 1127 (233422 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1086 (104002 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 1127 (106807 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 26, first atom 1126 (158423 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1325 (101373 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1113 (104791 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 29, first atom 1121 (105544 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1128 (198125 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 31, first atom 1120 (156892 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 32, first atom 1100 (100685 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 1128 (2151650 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 34, first atom 1132 (266017 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1128 (100531 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1128 (202352 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1132 (154366 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1297 (120647 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1128 (120439 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 40, first atom 1417 (125391 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 41, first atom 1290 (100020 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 42, first atom 1120 (124005 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 43, first atom 1416 (104834 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 44, first atom 1135 (120377 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1419 (109838 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1419 (128054 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1478 (162668 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1478 (233042 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1128 (116683 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1321 (122214 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1316 (135648 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1119 (168155 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1488 (238988 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1316 (244187 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1316 (138062 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1321 (147010 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1316 (110054 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1424 (134680 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1133 (110490 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1321 (559559 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1494 (171941 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1128 (211849 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1321 (153275 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1478 (109528 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.20 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6003 / 6106 solvent mols in 366 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42571 ms
+Warn: 31 atom(s) hit accel clamp on step 0, first atom 1102 (122915 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 1, first atom 1284 (131699 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1317 (120642 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1184 (118310 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1317 (119794 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.17 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6000 / 6105 solvent mols in 402 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41232 ms
+Initializing solvent molecules...
+Solvent-free vol: 183.17 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6000 / 6105 solvent mols in 371 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42733 ms
+Warn: 31 atom(s) hit accel clamp on step 0, first atom 1123 (282016 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1123 (115275 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1176 (204772 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1311 (122617 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1324 (117251 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.19 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6001 / 6105 solvent mols in 363 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41033 ms
+Initializing solvent molecules...
+Solvent-free vol: 183.19 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6001 / 6105 solvent mols in 365 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42200 ms
+Warn: 11 atom(s) hit accel clamp on step 0, first atom 1143 (216075 -> 100000)
+Warn: 176 atom(s) hit accel clamp on step 1, first atom 147 (154243 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 2, first atom 276 (176304 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 3, first atom 506 (174446 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 4, first atom 506 (112576 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 5, first atom 1097 (115353 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 6, first atom 1097 (120259 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 7, first atom 1076 (130879 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 8, first atom 1189 (161903 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 1119 (104314 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 10, first atom 1318 (161968 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 11, first atom 1097 (108599 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 12, first atom 1232 (112540 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 13, first atom 1387 (115250 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 14, first atom 1198 (120767 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 286 (111205 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 507 (107331 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 17, first atom 1182 (115307 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1232 (125965 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 1481 (188226 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 20, first atom 1301 (119959 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 1201 (146865 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 22, first atom 1481 (104714 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 23, first atom 1300 (199246 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 24, first atom 1307 (145477 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 25, first atom 1097 (125580 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1481 (215269 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1489 (102754 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 507 (102610 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1301 (100861 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1499 (104435 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1400 (111552 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1497 (2100154 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1498 (430681 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1496 (129365 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1492 (427448 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 36, first atom 1492 (160998 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1492 (143814 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1396 (134446 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 39, first atom 1300 (930378 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 40, first atom 1201 (188373 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 41, first atom 1074 (104541 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1301 (485812 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1424 (132780 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1492 (2411575 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1492 (1682628 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1304 (102842 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 47, first atom 1304 (112712 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1492 (546522 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1299 (100242 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1497 (110356 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1492 (112206 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1494 (110105 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1492 (100651 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1299 (125770 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1301 (254893 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1422 (166672 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 73, first atom 1491 (118770 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1525 (100928 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1706 (109608 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1721 (110970 -> 100000)
+Warn: 210 atom(s) hit accel clamp on step 3, first atom 59 (566184 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 4, first atom 60 (244592 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 5, first atom 60 (268539 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 6, first atom 60 (111764 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 7, first atom 1135 (131024 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 8, first atom 59 (130990 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 9, first atom 1108 (264200 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 10, first atom 1134 (171527 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 11, first atom 1134 (139332 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 12, first atom 1132 (123819 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 13, first atom 1124 (132996 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 14, first atom 503 (107497 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 15, first atom 142 (100549 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 16, first atom 1134 (102208 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 17, first atom 1131 (203588 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 18, first atom 1431 (122360 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 19, first atom 1131 (226647 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 20, first atom 1127 (211147 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 21, first atom 1127 (108648 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 22, first atom 1133 (124989 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 23, first atom 503 (123886 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 1134 (100328 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 1138 (103249 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 1097 (277633 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 27, first atom 1126 (107556 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 28, first atom 1126 (110904 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 29, first atom 1139 (102914 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 30, first atom 1126 (106586 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 31, first atom 1134 (177116 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 32, first atom 1127 (683020 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 33, first atom 1127 (270108 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 1096 (110587 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 35, first atom 1124 (177815 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1127 (2100874 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1127 (312904 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1127 (193000 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1127 (115750 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1135 (143887 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1138 (103941 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1135 (1918981 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1126 (118292 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1136 (560719 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1126 (186436 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1126 (128710 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 47, first atom 1126 (141123 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1126 (134898 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1495 (221597 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1495 (121421 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1419 (101317 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1497 (180842 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 53, first atom 1126 (130991 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1495 (113566 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1496 (138464 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1495 (230096 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 57, first atom 1137 (150886 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1138 (103836 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1134 (120464 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1138 (175107 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1138 (102905 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1498 (122418 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1193 (113126 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 69, first atom 1127 (147109 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1127 (171827 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1127 (113012 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1494 (131390 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1134 (115891 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1134 (104597 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1490 (119432 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.12 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6004 / 6103 solvent mols in 360 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40863 ms
+Warn: 32 atom(s) hit accel clamp on step 0, first atom 1132 (172043 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 1, first atom 1161 (126772 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1497 (105242 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.09 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6001 / 6102 solvent mols in 360 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41190 ms
+Initializing solvent molecules...
+Solvent-free vol: 183.09 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6001 / 6102 solvent mols in 361 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42480 ms
+Warn: 41 atom(s) hit accel clamp on step 0, first atom 1134 (470060 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 1, first atom 1155 (143383 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1335 (111400 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1876 (151576 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 13, first atom 1876 (126144 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.09 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6001 / 6102 solvent mols in 364 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41696 ms
+Warn: 13 atom(s) hit accel clamp on step 0, first atom 1316 (114283 -> 100000)
+Warn: 235 atom(s) hit accel clamp on step 1, first atom 59 (591150 -> 100000)
+Warn: 110 atom(s) hit accel clamp on step 2, first atom 60 (271187 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 3, first atom 60 (266796 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 4, first atom 60 (105690 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 5, first atom 1152 (2014468 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 6, first atom 219 (130129 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 7, first atom 553 (132224 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 8, first atom 74 (143323 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 9, first atom 74 (134733 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 10, first atom 553 (203969 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 11, first atom 1154 (588862 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 12, first atom 1152 (128640 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 13, first atom 77 (152409 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 14, first atom 658 (128566 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 15, first atom 279 (102665 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 16, first atom 1149 (163035 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 17, first atom 766 (238703 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 18, first atom 793 (138287 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 19, first atom 1149 (107877 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 20, first atom 220 (148123 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 21, first atom 220 (117407 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 22, first atom 793 (229898 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 23, first atom 1150 (176253 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 24, first atom 790 (106557 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 25, first atom 1152 (110172 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 26, first atom 74 (101935 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 27, first atom 1150 (257686 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 28, first atom 1150 (103070 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 29, first atom 1152 (197475 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 30, first atom 1157 (204139 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 31, first atom 219 (108494 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 32, first atom 1160 (187870 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 33, first atom 1203 (121664 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 34, first atom 1145 (178949 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 35, first atom 1164 (109171 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 36, first atom 221 (137469 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 37, first atom 1129 (144545 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 38, first atom 1144 (141262 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 39, first atom 1144 (112957 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 1157 (270381 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 41, first atom 1223 (106326 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 1157 (249824 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 43, first atom 1149 (134706 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 44, first atom 1155 (864319 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 45, first atom 1154 (411870 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 46, first atom 219 (125566 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 47, first atom 1271 (157803 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 48, first atom 1153 (142816 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 49, first atom 1271 (133668 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 50, first atom 1158 (109166 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 51, first atom 1184 (109072 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1155 (153915 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1210 (108615 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1270 (308769 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 55, first atom 1145 (104489 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 56, first atom 1144 (161284 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1211 (158001 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1722 (108022 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1152 (104127 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1155 (123810 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 61, first atom 1152 (109030 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1152 (125747 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 63, first atom 1155 (144064 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1155 (111493 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1221 (168211 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1155 (266399 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1155 (262264 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1218 (111624 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1179 (139272 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 70, first atom 1179 (101638 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1218 (140570 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 73, first atom 1726 (170536 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1727 (144658 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 76, first atom 1218 (190452 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 77, first atom 1271 (173967 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1169 (128350 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 79, first atom 1716 (100185 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1716 (125126 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1271 (176462 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1271 (240704 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1728 (154904 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1734 (198952 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1734 (133975 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1726 (169469 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1726 (150182 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.14 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6003 / 6104 solvent mols in 365 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42086 ms
+Warn: 33 atom(s) hit accel clamp on step 0, first atom 1145 (305576 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 1, first atom 1387 (112304 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1726 (169616 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1726 (146771 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1438 (124211 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.11 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6000 / 6103 solvent mols in 367 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40871 ms
+Initializing solvent molecules...
+Solvent-free vol: 183.11 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6000 / 6103 solvent mols in 376 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43511 ms
+Warn: 39 atom(s) hit accel clamp on step 0, first atom 1149 (151323 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 1, first atom 1176 (118977 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1348 (155311 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1348 (102204 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 4, first atom 1739 (401887 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1739 (192269 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1520 (124061 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1902 (101010 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 183.11 Cell vol: 208.11 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.31 Å
+Added 6000 / 6103 solvent mols in 375 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43503 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1605 (886623 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1546 (105645 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1606 (192040 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1546 (189059 -> 100000)
+Warn: 271 atom(s) hit accel clamp on step 6, first atom 59 (534363 -> 100000)
+Warn: 122 atom(s) hit accel clamp on step 7, first atom 60 (192740 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 8, first atom 60 (268843 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 9, first atom 60 (174608 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 10, first atom 66 (109256 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 11, first atom 59 (175505 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 12, first atom 1129 (271917 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 13, first atom 773 (290918 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 14, first atom 93 (260974 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 15, first atom 143 (196443 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 16, first atom 146 (400107 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 17, first atom 79 (166893 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 18, first atom 140 (145916 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 19, first atom 1146 (180784 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 20, first atom 142 (181737 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 21, first atom 79 (101317 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 22, first atom 220 (148288 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 23, first atom 512 (114434 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 24, first atom 1146 (1763460 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 25, first atom 223 (109348 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 26, first atom 1141 (102869 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 27, first atom 76 (188122 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 28, first atom 1148 (156154 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 29, first atom 1154 (114929 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 30, first atom 76 (133600 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 31, first atom 1141 (126314 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 32, first atom 217 (175531 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 33, first atom 77 (125564 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 34, first atom 74 (261695 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 35, first atom 785 (180520 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 36, first atom 353 (165406 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 37, first atom 1145 (232251 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 38, first atom 1149 (122870 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 39, first atom 1157 (194029 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 40, first atom 1145 (107152 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 41, first atom 1145 (111619 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 42, first atom 1160 (103240 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 43, first atom 1158 (170955 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 44, first atom 1158 (142580 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 45, first atom 1150 (218314 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 46, first atom 1161 (108860 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 47, first atom 1315 (109822 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 48, first atom 1318 (162939 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 49, first atom 1150 (135365 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 50, first atom 1159 (221799 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 51, first atom 1161 (416113 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 52, first atom 1161 (250949 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 53, first atom 1149 (142722 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 54, first atom 1149 (102447 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 55, first atom 1161 (298175 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 56, first atom 1161 (187554 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 57, first atom 1160 (238013 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 58, first atom 84 (145236 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 59, first atom 1160 (325992 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 60, first atom 1165 (168547 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 61, first atom 1276 (102890 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1215 (152102 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 63, first atom 1216 (283395 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1671 (154498 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1276 (103284 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1157 (106140 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 67, first atom 1148 (110200 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 68, first atom 77 (134648 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1151 (134433 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 70, first atom 1276 (322713 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 72, first atom 1151 (104236 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 73, first atom 1157 (313988 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1375 (120914 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1276 (118801 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1157 (112674 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 77, first atom 1157 (145516 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1159 (106188 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 79, first atom 77 (180882 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 80, first atom 1149 (268812 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1157 (420704 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1156 (242324 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1372 (102354 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1160 (146127 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1161 (102925 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 102, first atom 1274 (100087 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 104, first atom 1156 (108022 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 105, first atom 1220 (105869 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 107, first atom 1157 (109198 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 118, first atom 1157 (112279 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.31 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6036 / 6176 solvent mols in 366 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43498 ms
+Warn: 41 atom(s) hit accel clamp on step 0, first atom 1132 (239086 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 1, first atom 1156 (114289 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1728 (102846 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1204 (251150 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1204 (126025 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1658 (184831 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 10, first atom 1891 (109917 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 12, first atom 1270 (105493 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.28 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6034 / 6175 solvent mols in 368 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42418 ms
+Initializing solvent molecules...
+Solvent-free vol: 185.28 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6034 / 6175 solvent mols in 384 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44042 ms
+Warn: 45 atom(s) hit accel clamp on step 0, first atom 1151 (854635 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 1, first atom 1153 (177273 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1301 (130362 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1533 (338264 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 4, first atom 1533 (115663 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1301 (100446 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1158 (224371 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 10, first atom 1158 (149268 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.28 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6034 / 6175 solvent mols in 368 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43224 ms
+Warn: 30 atom(s) hit accel clamp on step 0, first atom 1134 (123852 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1313 (144569 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1340 (149083 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1603 (219534 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1340 (182813 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1892 (100696 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 10, first atom 1524 (102972 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 11, first atom 1340 (105379 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 12, first atom 1216 (110075 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.28 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6034 / 6175 solvent mols in 370 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44224 ms
+Initializing solvent molecules...
+Solvent-free vol: 185.28 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6034 / 6175 solvent mols in 367 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42732 ms
+Warn: 42 atom(s) hit accel clamp on step 0, first atom 1151 (784547 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 1, first atom 1153 (119673 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 2, first atom 1215 (147987 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 3, first atom 1215 (120688 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1892 (135996 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1905 (101354 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1352 (122691 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 11, first atom 1215 (133998 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 17, first atom 1905 (101467 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.28 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6034 / 6175 solvent mols in 427 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44761 ms
+Initializing solvent molecules...
+Solvent-free vol: 185.28 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6034 / 6175 solvent mols in 407 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42770 ms
+Initializing solvent molecules...
+Solvent-free vol: 185.28 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6034 / 6175 solvent mols in 366 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44720 ms
+Initializing solvent molecules...
+Solvent-free vol: 185.28 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6034 / 6175 solvent mols in 410 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43962 ms
+Initializing solvent molecules...
+Solvent-free vol: 185.28 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6034 / 6175 solvent mols in 365 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42836 ms
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1555 (259079 -> 100000)
+Warn: 276 atom(s) hit accel clamp on step 1, first atom 59 (593186 -> 100000)
+Warn: 120 atom(s) hit accel clamp on step 2, first atom 60 (272387 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 3, first atom 60 (267562 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 4, first atom 60 (106132 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 5, first atom 84 (102535 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 6, first atom 219 (131742 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 7, first atom 74 (123338 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 8, first atom 74 (144466 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 9, first atom 74 (136787 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 10, first atom 524 (213573 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 11, first atom 1106 (132560 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 12, first atom 1167 (142609 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 13, first atom 142 (179222 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 14, first atom 79 (135817 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 15, first atom 279 (106048 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 16, first atom 79 (111779 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 17, first atom 513 (182384 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 18, first atom 1164 (134459 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 19, first atom 1142 (166808 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 20, first atom 523 (128263 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 21, first atom 221 (208699 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 22, first atom 1142 (117835 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 23, first atom 1162 (166067 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 24, first atom 370 (261654 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 25, first atom 1170 (309272 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 26, first atom 1164 (143928 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 27, first atom 74 (133531 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 28, first atom 72 (113064 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 29, first atom 75 (127423 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 30, first atom 1166 (697581 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 31, first atom 256 (258237 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 32, first atom 1150 (120113 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 33, first atom 255 (174726 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 34, first atom 255 (169670 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 35, first atom 777 (132792 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 36, first atom 1167 (981354 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 37, first atom 1167 (510280 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 38, first atom 1166 (129237 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 39, first atom 1189 (373727 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 40, first atom 1166 (245066 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 41, first atom 1166 (1456272 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 42, first atom 424 (207426 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 43, first atom 1161 (109873 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 44, first atom 1222 (472839 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 45, first atom 1222 (997827 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 46, first atom 1161 (128000 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 47, first atom 1171 (130634 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 48, first atom 1166 (109364 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 49, first atom 1229 (101866 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 50, first atom 1283 (130389 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 51, first atom 1190 (235953 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 52, first atom 1170 (120471 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 53, first atom 1165 (109950 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 54, first atom 79 (172547 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 55, first atom 1189 (323180 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 56, first atom 77 (142194 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 57, first atom 1232 (236632 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1546 (134648 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1165 (245352 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1165 (152244 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 61, first atom 1171 (156819 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 62, first atom 1165 (130700 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 63, first atom 1165 (117335 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1535 (113979 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 65, first atom 1165 (134173 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 66, first atom 1165 (118301 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 67, first atom 1189 (134684 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 68, first atom 1165 (126524 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 69, first atom 1165 (223938 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 70, first atom 1169 (206777 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1545 (482687 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 72, first atom 1165 (102282 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 73, first atom 1553 (111417 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 74, first atom 1165 (289702 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 75, first atom 1523 (147105 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 76, first atom 1165 (217280 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 77, first atom 1165 (153068 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 78, first atom 1406 (380022 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 79, first atom 1165 (181385 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 80, first atom 1169 (140167 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 81, first atom 1143 (1093544 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 82, first atom 40 (120444 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 83, first atom 1169 (114242 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 84, first atom 1159 (102369 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 85, first atom 1145 (2108790 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 86, first atom 1145 (308144 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 87, first atom 1165 (125924 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 88, first atom 1165 (171170 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 89, first atom 1160 (121893 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 90, first atom 964 (101653 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 91, first atom 1334 (120780 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 92, first atom 1138 (169706 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 93, first atom 1160 (213653 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 94, first atom 1136 (124790 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 95, first atom 1141 (268322 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 96, first atom 1136 (118634 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 97, first atom 628 (157603 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 98, first atom 1136 (340999 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 99, first atom 42 (137450 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 100, first atom 1119 (186358 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 101, first atom 1134 (137947 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 102, first atom 1131 (107856 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 103, first atom 1143 (287024 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 104, first atom 1133 (174539 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 105, first atom 1131 (215749 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 106, first atom 1103 (2003485 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 107, first atom 1103 (3334510 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 108, first atom 37 (185713 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 109, first atom 627 (351721 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 110, first atom 132 (104825 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 111, first atom 1146 (199933 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 112, first atom 1146 (109868 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 113, first atom 1112 (1235554 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 114, first atom 1112 (199962 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 115, first atom 6 (148687 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 116, first atom 430 (152462 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 117, first atom 2 (108801 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 118, first atom 432 (131629 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 119, first atom 1112 (118149 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 120, first atom 1113 (108498 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 121, first atom 1137 (361233 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 122, first atom 1527 (208814 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 123, first atom 1016 (267008 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 124, first atom 1106 (102138 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 125, first atom 404 (127486 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 126, first atom 872 (108141 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 127, first atom 1112 (154263 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 128, first atom 1112 (281114 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 129, first atom 1107 (105015 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 130, first atom 1104 (168995 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 131, first atom 1105 (123741 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 132, first atom 515 (340858 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 133, first atom 871 (114486 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 134, first atom 1102 (209995 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 135, first atom 637 (104022 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 136, first atom 1102 (507134 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 137, first atom 190 (301135 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 138, first atom 617 (306791 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 139, first atom 666 (130438 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 140, first atom 1102 (131730 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 141, first atom 1108 (105525 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 142, first atom 9 (193298 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 143, first atom 337 (122335 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 144, first atom 234 (107677 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 145, first atom 638 (118757 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 146, first atom 661 (112830 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 147, first atom 662 (220452 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 148, first atom 661 (352748 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 149, first atom 535 (273160 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 150, first atom 1103 (338824 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 151, first atom 1103 (2300426 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 152, first atom 1103 (107815 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 153, first atom 411 (199280 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 154, first atom 661 (364998 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 155, first atom 636 (105084 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 156, first atom 598 (208822 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 157, first atom 200 (280318 -> 100000)
+Warn: 91 atom(s) hit accel clamp on step 158, first atom 14 (122362 -> 100000)
+Warn: 95 atom(s) hit accel clamp on step 159, first atom 339 (296446 -> 100000)
+Warn: 100 atom(s) hit accel clamp on step 160, first atom 56 (117969 -> 100000)
+Warn: 130 atom(s) hit accel clamp on step 161, first atom 198 (106093 -> 100000)
+Warn: 129 atom(s) hit accel clamp on step 162, first atom 4 (138822 -> 100000)
+Warn: 147 atom(s) hit accel clamp on step 163, first atom 23 (345639 -> 100000)
+Warn: 157 atom(s) hit accel clamp on step 164, first atom 193 (261745 -> 100000)
+Warn: 164 atom(s) hit accel clamp on step 165, first atom 211 (121069 -> 100000)
+Warn: 151 atom(s) hit accel clamp on step 166, first atom 282 (116638 -> 100000)
+Warn: 187 atom(s) hit accel clamp on step 167, first atom 190 (106032 -> 100000)
+Warn: 214 atom(s) hit accel clamp on step 168, first atom 12 (118681 -> 100000)
+Warn: 239 atom(s) hit accel clamp on step 169, first atom 340 (154377 -> 100000)
+Warn: 261 atom(s) hit accel clamp on step 170, first atom 154 (258927 -> 100000)
+Warn: 260 atom(s) hit accel clamp on step 171, first atom 88 (105584 -> 100000)
+Warn: 307 atom(s) hit accel clamp on step 172, first atom 162 (130694 -> 100000)
+Warn: 334 atom(s) hit accel clamp on step 173, first atom 82 (165119 -> 100000)
+Warn: 357 atom(s) hit accel clamp on step 174, first atom 89 (114286 -> 100000)
+Warn: 384 atom(s) hit accel clamp on step 175, first atom 108 (358703 -> 100000)
+Warn: 405 atom(s) hit accel clamp on step 176, first atom 45 (117003 -> 100000)
+Warn: 429 atom(s) hit accel clamp on step 177, first atom 51 (133526 -> 100000)
+Warn: 450 atom(s) hit accel clamp on step 178, first atom 34 (187020 -> 100000)
+Warn: 528 atom(s) hit accel clamp on step 179, first atom 14 (348925 -> 100000)
+Warn: 565 atom(s) hit accel clamp on step 180, first atom 2 (356853 -> 100000)
+Warn: 581 atom(s) hit accel clamp on step 181, first atom 9 (124798 -> 100000)
+Warn: 614 atom(s) hit accel clamp on step 182, first atom 3 (142919 -> 100000)
+Warn: 643 atom(s) hit accel clamp on step 183, first atom 3 (134083 -> 100000)
+Warn: 711 atom(s) hit accel clamp on step 184, first atom 3 (128013 -> 100000)
+Warn: 751 atom(s) hit accel clamp on step 185, first atom 6 (291393 -> 100000)
+Warn: 796 atom(s) hit accel clamp on step 186, first atom 1 (202435 -> 100000)
+Warn: 866 atom(s) hit accel clamp on step 187, first atom 1 (176214 -> 100000)
+Warn: 906 atom(s) hit accel clamp on step 188, first atom 1 (173835 -> 100000)
+Warn: 966 atom(s) hit accel clamp on step 189, first atom 3 (151320 -> 100000)
+Warn: 1034 atom(s) hit accel clamp on step 190, first atom 3 (112572 -> 100000)
+Warn: 1070 atom(s) hit accel clamp on step 191, first atom 0 (286563 -> 100000)
+Warn: 1101 atom(s) hit accel clamp on step 192, first atom 2 (305680 -> 100000)
+Warn: 1144 atom(s) hit accel clamp on step 193, first atom 1 (389961 -> 100000)
+Warn: 1193 atom(s) hit accel clamp on step 194, first atom 0 (262185 -> 100000)
+Warn: 1204 atom(s) hit accel clamp on step 195, first atom 0 (117202 -> 100000)
+Warn: 1225 atom(s) hit accel clamp on step 196, first atom 0 (270030 -> 100000)
+Warn: 1320 atom(s) hit accel clamp on step 197, first atom 0 (117805 -> 100000)
+Warn: 1286 atom(s) hit accel clamp on step 198, first atom 0 (104061 -> 100000)
+Warn: 1308 atom(s) hit accel clamp on step 199, first atom 0 (104305 -> 100000)
+Warn: 1308 atom(s) hit accel clamp on step 200, first atom 1 (188209 -> 100000)
+Warn: 1295 atom(s) hit accel clamp on step 201, first atom 1 (158087 -> 100000)
+Warn: 1330 atom(s) hit accel clamp on step 202, first atom 0 (318564 -> 100000)
+Warn: 1334 atom(s) hit accel clamp on step 203, first atom 0 (305333 -> 100000)
+Warn: 1357 atom(s) hit accel clamp on step 204, first atom 2 (391774 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 0, first atom 1133 (109254 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 1, first atom 1313 (154672 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1352 (134404 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1352 (100977 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1449 (102693 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.28 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6034 / 6175 solvent mols in 366 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42646 ms
+Initializing solvent molecules...
+Solvent-free vol: 185.28 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6034 / 6175 solvent mols in 378 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44028 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1891 (196503 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1891 (109900 -> 100000)
+Warn: 287 atom(s) hit accel clamp on step 11, first atom 59 (568987 -> 100000)
+Warn: 123 atom(s) hit accel clamp on step 12, first atom 60 (122812 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 13, first atom 60 (208733 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 14, first atom 69 (263283 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 15, first atom 51 (129298 -> 100000)
+Warn: 92 atom(s) hit accel clamp on step 16, first atom 59 (140249 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 17, first atom 142 (125382 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 18, first atom 1161 (260406 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 19, first atom 523 (167032 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 20, first atom 143 (182692 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 21, first atom 1159 (116561 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 22, first atom 79 (121995 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 23, first atom 147 (111263 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 24, first atom 1151 (195709 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 25, first atom 146 (137239 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 26, first atom 353 (162188 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 27, first atom 350 (137421 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 28, first atom 147 (124875 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 29, first atom 145 (107709 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 30, first atom 790 (174367 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 31, first atom 792 (108274 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 32, first atom 1051 (143416 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 33, first atom 1098 (105606 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 34, first atom 217 (173311 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 35, first atom 1139 (101741 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 36, first atom 77 (101954 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 37, first atom 1153 (135087 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 38, first atom 1146 (110112 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 39, first atom 348 (203460 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 40, first atom 1139 (115050 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 41, first atom 1154 (148327 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 42, first atom 1147 (202333 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 43, first atom 1147 (110445 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 44, first atom 149 (112853 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 45, first atom 1147 (198161 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 46, first atom 1132 (140903 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 47, first atom 150 (130318 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 48, first atom 1346 (103274 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 49, first atom 1153 (127388 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 50, first atom 1150 (143736 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 51, first atom 1150 (104327 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 52, first atom 1176 (102984 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 53, first atom 1149 (113467 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 54, first atom 286 (108903 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 55, first atom 1164 (137238 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 56, first atom 1162 (171907 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 57, first atom 150 (143203 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 58, first atom 1156 (351620 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 59, first atom 1153 (244891 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1164 (227478 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 61, first atom 1162 (104522 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 62, first atom 1375 (357192 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 63, first atom 1279 (122201 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 64, first atom 1153 (103935 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1708 (107911 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1327 (123145 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 68, first atom 1162 (101540 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1163 (132898 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 71, first atom 1365 (104204 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 72, first atom 1223 (840152 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 73, first atom 1223 (349686 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 74, first atom 1226 (131796 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1162 (171342 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 77, first atom 1153 (123083 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1162 (105648 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 79, first atom 1153 (122989 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 80, first atom 1375 (120215 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 81, first atom 1226 (112620 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1718 (124936 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 83, first atom 1166 (119438 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 84, first atom 1329 (102408 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1707 (115652 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 86, first atom 1724 (115098 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1722 (130148 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 92, first atom 1707 (102025 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 93, first atom 1704 (250137 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1719 (120830 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1165 (101751 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 100, first atom 1167 (120294 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 103, first atom 1225 (149758 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.32 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6034 / 6176 solvent mols in 377 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44181 ms
+Warn: 48 atom(s) hit accel clamp on step 0, first atom 1154 (353030 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 1, first atom 1274 (112632 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1350 (139880 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 3, first atom 1209 (186795 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 6, first atom 1209 (242258 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1209 (194401 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1896 (105047 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1520 (103676 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 13, first atom 1896 (109984 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.29 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6032 / 6175 solvent mols in 367 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44117 ms
+Initializing solvent molecules...
+Solvent-free vol: 185.29 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6032 / 6175 solvent mols in 425 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44417 ms
+Warn: 39 atom(s) hit accel clamp on step 0, first atom 1138 (169718 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1306 (112283 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1345 (206183 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1538 (203863 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1345 (149523 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1212 (101641 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.29 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6032 / 6175 solvent mols in 409 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43970 ms
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1551 (133101 -> 100000)
+Warn: 281 atom(s) hit accel clamp on step 1, first atom 59 (590478 -> 100000)
+Warn: 121 atom(s) hit accel clamp on step 2, first atom 60 (271334 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 3, first atom 60 (266559 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 4, first atom 60 (110115 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 5, first atom 757 (194293 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 6, first atom 219 (123541 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 7, first atom 141 (129965 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 8, first atom 74 (141078 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 9, first atom 74 (131616 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 10, first atom 1111 (129620 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 11, first atom 141 (210217 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 12, first atom 1146 (101288 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 13, first atom 310 (168468 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 14, first atom 752 (115010 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 15, first atom 1106 (106109 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 16, first atom 1169 (293593 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 17, first atom 1188 (424644 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 18, first atom 1170 (157586 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 19, first atom 74 (128164 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 20, first atom 143 (108837 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 21, first atom 143 (179647 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 22, first atom 84 (140705 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 23, first atom 1168 (106950 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 24, first atom 1172 (570138 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 25, first atom 147 (107109 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 26, first atom 77 (100144 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 27, first atom 217 (172501 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 28, first atom 1126 (125820 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 29, first atom 219 (164336 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 30, first atom 74 (133961 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 31, first atom 1170 (156456 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 32, first atom 84 (161913 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 33, first atom 1168 (191037 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 34, first atom 73 (111658 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 35, first atom 1229 (131990 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 36, first atom 1171 (115511 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 37, first atom 1229 (112843 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 38, first atom 1168 (113045 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 39, first atom 1175 (125863 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 40, first atom 1106 (117315 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 41, first atom 77 (170918 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 42, first atom 1173 (217565 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 43, first atom 1174 (115799 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 44, first atom 1170 (136337 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 45, first atom 407 (265144 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 46, first atom 1170 (105106 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 47, first atom 1171 (394679 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1177 (431796 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 49, first atom 1171 (171035 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 50, first atom 1170 (210615 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 51, first atom 1170 (101636 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 52, first atom 1236 (145727 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 53, first atom 924 (157231 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1338 (100439 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 55, first atom 905 (183238 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 56, first atom 1177 (162568 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 57, first atom 1239 (138191 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1317 (112693 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 59, first atom 1290 (109262 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 60, first atom 1171 (239620 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 61, first atom 1176 (207162 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 62, first atom 973 (137401 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 63, first atom 1289 (104195 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1163 (408338 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 65, first atom 1235 (227297 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 66, first atom 595 (106447 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 67, first atom 707 (346925 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 68, first atom 652 (109938 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 69, first atom 1162 (461548 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 70, first atom 1002 (130635 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 71, first atom 1101 (347750 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 72, first atom 1162 (136169 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 73, first atom 1152 (161466 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 74, first atom 1171 (119762 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 75, first atom 1173 (100647 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 76, first atom 90 (220872 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 77, first atom 898 (350098 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 78, first atom 1180 (2130838 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 79, first atom 1105 (133679 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 80, first atom 606 (231643 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 81, first atom 1282 (130445 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 82, first atom 1180 (155729 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 83, first atom 1173 (340112 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 84, first atom 1172 (199539 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 85, first atom 1282 (102998 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 86, first atom 1299 (269276 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 87, first atom 1179 (112280 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 88, first atom 1091 (114822 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 89, first atom 1646 (779820 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 90, first atom 1226 (100440 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 91, first atom 1176 (107559 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 92, first atom 1628 (106462 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 93, first atom 1827 (105316 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 94, first atom 1173 (114861 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 95, first atom 573 (259987 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 96, first atom 1077 (116850 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 97, first atom 1162 (301241 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 98, first atom 869 (262520 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 99, first atom 1156 (107557 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 100, first atom 1573 (137064 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 101, first atom 580 (348257 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 102, first atom 881 (291710 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 103, first atom 1176 (172317 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 104, first atom 810 (141676 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 105, first atom 1178 (165041 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 106, first atom 409 (348492 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 107, first atom 644 (345687 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 108, first atom 1149 (4153457 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 109, first atom 1149 (215421 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 110, first atom 515 (346694 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 111, first atom 1149 (538114 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 112, first atom 662 (352220 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 113, first atom 390 (125066 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 114, first atom 1097 (155717 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 115, first atom 838 (101273 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 116, first atom 644 (340993 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 117, first atom 399 (128098 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 118, first atom 425 (193021 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 119, first atom 1261 (1220052 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 120, first atom 868 (290316 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 121, first atom 343 (101644 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 122, first atom 340 (178248 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 123, first atom 637 (102392 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 124, first atom 142 (237827 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 125, first atom 143 (110602 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 126, first atom 1089 (131236 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 127, first atom 902 (148893 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 128, first atom 430 (126458 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 129, first atom 1124 (127438 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 130, first atom 680 (119418 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 131, first atom 867 (157066 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 132, first atom 372 (101152 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 133, first atom 373 (133920 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 134, first atom 45 (259970 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 135, first atom 422 (224224 -> 100000)
+Warn: 90 atom(s) hit accel clamp on step 136, first atom 211 (206814 -> 100000)
+Warn: 113 atom(s) hit accel clamp on step 137, first atom 187 (106159 -> 100000)
+Warn: 118 atom(s) hit accel clamp on step 138, first atom 0 (301206 -> 100000)
+Warn: 115 atom(s) hit accel clamp on step 139, first atom 328 (104235 -> 100000)
+Warn: 137 atom(s) hit accel clamp on step 140, first atom 2 (177730 -> 100000)
+Warn: 161 atom(s) hit accel clamp on step 141, first atom 3 (119542 -> 100000)
+Warn: 158 atom(s) hit accel clamp on step 142, first atom 15 (330880 -> 100000)
+Warn: 174 atom(s) hit accel clamp on step 143, first atom 341 (131953 -> 100000)
+Warn: 174 atom(s) hit accel clamp on step 144, first atom 11 (166657 -> 100000)
+Warn: 205 atom(s) hit accel clamp on step 145, first atom 3 (199057 -> 100000)
+Warn: 221 atom(s) hit accel clamp on step 146, first atom 11 (107887 -> 100000)
+Warn: 221 atom(s) hit accel clamp on step 147, first atom 15 (362196 -> 100000)
+Warn: 272 atom(s) hit accel clamp on step 148, first atom 3 (134447 -> 100000)
+Warn: 253 atom(s) hit accel clamp on step 149, first atom 7 (108500 -> 100000)
+Warn: 288 atom(s) hit accel clamp on step 150, first atom 3 (291365 -> 100000)
+Warn: 294 atom(s) hit accel clamp on step 151, first atom 4 (204723 -> 100000)
+Warn: 314 atom(s) hit accel clamp on step 152, first atom 20 (101715 -> 100000)
+Warn: 347 atom(s) hit accel clamp on step 153, first atom 19 (189016 -> 100000)
+Warn: 398 atom(s) hit accel clamp on step 154, first atom 14 (127488 -> 100000)
+Warn: 448 atom(s) hit accel clamp on step 155, first atom 3 (118030 -> 100000)
+Warn: 457 atom(s) hit accel clamp on step 156, first atom 12 (166155 -> 100000)
+Warn: 528 atom(s) hit accel clamp on step 157, first atom 12 (288365 -> 100000)
+Warn: 592 atom(s) hit accel clamp on step 158, first atom 11 (365697 -> 100000)
+Warn: 663 atom(s) hit accel clamp on step 159, first atom 5 (249991 -> 100000)
+Warn: 704 atom(s) hit accel clamp on step 160, first atom 11 (208779 -> 100000)
+Warn: 783 atom(s) hit accel clamp on step 161, first atom 11 (303425 -> 100000)
+Warn: 837 atom(s) hit accel clamp on step 162, first atom 1 (422496 -> 100000)
+Warn: 898 atom(s) hit accel clamp on step 163, first atom 1 (300492 -> 100000)
+Warn: 952 atom(s) hit accel clamp on step 164, first atom 1 (198370 -> 100000)
+Warn: 1012 atom(s) hit accel clamp on step 165, first atom 2 (358428 -> 100000)
+Warn: 1066 atom(s) hit accel clamp on step 166, first atom 1 (117928 -> 100000)
+Warn: 1157 atom(s) hit accel clamp on step 167, first atom 1 (107640 -> 100000)
+Warn: 1212 atom(s) hit accel clamp on step 168, first atom 0 (109868 -> 100000)
+Warn: 1230 atom(s) hit accel clamp on step 169, first atom 1 (343658 -> 100000)
+Warn: 1294 atom(s) hit accel clamp on step 170, first atom 3 (253247 -> 100000)
+Warn: 1301 atom(s) hit accel clamp on step 171, first atom 2 (921374 -> 100000)
+Warn: 1316 atom(s) hit accel clamp on step 172, first atom 0 (312217 -> 100000)
+Warn: 1295 atom(s) hit accel clamp on step 173, first atom 1 (142816 -> 100000)
+Warn: 1379 atom(s) hit accel clamp on step 174, first atom 2 (101180 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 0, first atom 1138 (108850 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 1, first atom 1212 (411212 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1357 (131569 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 3, first atom 1211 (192887 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1211 (123595 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1211 (110505 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 8, first atom 1221 (149378 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1897 (179296 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 16, first atom 1212 (169093 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.29 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6032 / 6175 solvent mols in 398 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44145 ms
+Warn: 15 atom(s) hit accel clamp on step 0, first atom 1456 (101585 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1557 (122987 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1534 (191595 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1534 (163336 -> 100000)
+Warn: 273 atom(s) hit accel clamp on step 4, first atom 59 (564811 -> 100000)
+Warn: 107 atom(s) hit accel clamp on step 5, first atom 60 (195597 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 6, first atom 60 (270578 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 7, first atom 60 (186495 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 8, first atom 60 (141531 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 9, first atom 59 (136746 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 10, first atom 60 (137513 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 11, first atom 60 (128499 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 12, first atom 83 (105756 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 13, first atom 810 (100653 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 14, first atom 1149 (110291 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 15, first atom 81 (168372 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 16, first atom 221 (124740 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 17, first atom 1149 (100934 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 18, first atom 353 (165753 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 19, first atom 1157 (101143 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 20, first atom 792 (164356 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 21, first atom 1160 (143073 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 22, first atom 1144 (187283 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 23, first atom 1167 (117157 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 24, first atom 1147 (176582 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 1161 (138046 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 26, first atom 1100 (139666 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 27, first atom 78 (128306 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 28, first atom 71 (115398 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 29, first atom 221 (129008 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 30, first atom 1161 (100042 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 31, first atom 1167 (143545 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1183 (230093 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 33, first atom 1161 (152741 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 34, first atom 1161 (1884550 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 35, first atom 1160 (263074 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 36, first atom 1160 (798723 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 37, first atom 1167 (302895 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 38, first atom 1167 (101468 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 39, first atom 1169 (123201 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 40, first atom 1153 (132846 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 41, first atom 1153 (177011 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 42, first atom 1185 (155757 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 43, first atom 1159 (262095 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1167 (135644 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 45, first atom 1168 (352181 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1168 (417503 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 47, first atom 1167 (202157 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1170 (128354 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 49, first atom 1165 (116924 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1167 (108770 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1980 (104327 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 52, first atom 1158 (107977 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 53, first atom 1169 (111753 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1157 (104191 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1159 (219867 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1376 (106081 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1159 (128516 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1761 (119613 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1159 (203062 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 61, first atom 1152 (124652 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1757 (120515 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 63, first atom 1168 (244340 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 64, first atom 1174 (281880 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1230 (126301 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1924 (135400 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 67, first atom 1170 (117392 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1183 (129066 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 69, first atom 1161 (201979 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1172 (102909 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 72, first atom 1168 (213318 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1161 (158879 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1161 (109547 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1162 (117683 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1162 (245317 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 77, first atom 1286 (102745 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 79, first atom 1167 (117729 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1165 (120725 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 82, first atom 1161 (246523 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1159 (178808 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1165 (106190 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1159 (146192 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1168 (114196 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1165 (152277 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1165 (187169 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1168 (119746 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1165 (105152 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 94, first atom 1168 (190146 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 0, first atom 1465 (669567 -> 100000)
+Warn: 280 atom(s) hit accel clamp on step 1, first atom 59 (586553 -> 100000)
+Warn: 118 atom(s) hit accel clamp on step 2, first atom 60 (270961 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 3, first atom 60 (267544 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 4, first atom 60 (108522 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 5, first atom 1176 (2032727 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 6, first atom 81 (109830 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 7, first atom 74 (114549 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 8, first atom 74 (140401 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 9, first atom 74 (131023 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 10, first atom 140 (272448 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 11, first atom 1117 (186511 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 12, first atom 81 (132245 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 13, first atom 142 (165526 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 14, first atom 79 (134883 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 15, first atom 1112 (123332 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 16, first atom 1166 (169226 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 17, first atom 218 (120335 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 18, first atom 1180 (107043 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 19, first atom 1152 (164623 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 20, first atom 1171 (111368 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 21, first atom 1112 (105763 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 22, first atom 1176 (4257300 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 23, first atom 1176 (4293482 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 24, first atom 1174 (2076190 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 25, first atom 1115 (124538 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 26, first atom 1171 (277903 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 27, first atom 1179 (183788 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 28, first atom 1171 (114328 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 29, first atom 1175 (192962 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 30, first atom 218 (106399 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 31, first atom 1213 (103035 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1181 (340641 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 33, first atom 1181 (186262 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 34, first atom 1175 (105531 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1186 (175727 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 36, first atom 76 (184460 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 37, first atom 1126 (117901 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 38, first atom 1161 (120851 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 39, first atom 1168 (167969 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 40, first atom 1168 (173048 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 41, first atom 1181 (127908 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 42, first atom 1177 (114761 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 43, first atom 1176 (115774 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1247 (112832 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 45, first atom 1177 (2074457 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 46, first atom 1116 (206118 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1182 (110200 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1295 (136725 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 49, first atom 1169 (433393 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 50, first atom 1181 (111614 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 51, first atom 1169 (108113 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 52, first atom 1179 (130798 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1181 (437524 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 54, first atom 1179 (203546 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 55, first atom 1181 (255381 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 56, first atom 1181 (164189 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 57, first atom 1168 (102319 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1182 (136595 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1180 (105352 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1181 (116143 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 61, first atom 1182 (164129 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1171 (137810 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1200 (187967 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1194 (102382 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 65, first atom 1200 (136293 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1191 (469909 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 67, first atom 1200 (161183 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1243 (204137 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1763 (226896 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1247 (178559 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 71, first atom 1241 (112646 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 72, first atom 1180 (213756 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1191 (102729 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1380 (105116 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1546 (487622 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1572 (111543 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1629 (102854 -> 100000)
+Warn: 277 atom(s) hit accel clamp on step 5, first atom 59 (567082 -> 100000)
+Warn: 117 atom(s) hit accel clamp on step 6, first atom 60 (200074 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 7, first atom 60 (267663 -> 100000)
+Warn: 78 atom(s) hit accel clamp on step 8, first atom 60 (139109 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 9, first atom 60 (133221 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 10, first atom 59 (197573 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 11, first atom 97 (250849 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 12, first atom 151 (257524 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 13, first atom 347 (173583 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 14, first atom 84 (109479 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 15, first atom 217 (174898 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 16, first atom 81 (115287 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 17, first atom 221 (131798 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 18, first atom 78 (141496 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 19, first atom 223 (183778 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 20, first atom 1114 (101893 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 21, first atom 218 (168773 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 22, first atom 1161 (403477 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 23, first atom 1161 (143251 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 24, first atom 1147 (111324 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 25, first atom 143 (116981 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 26, first atom 1105 (168515 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 27, first atom 1171 (126784 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 28, first atom 219 (183881 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 29, first atom 797 (121627 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 30, first atom 1168 (2150815 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 31, first atom 1150 (124100 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 32, first atom 1146 (101866 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 33, first atom 1161 (187781 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 34, first atom 1158 (156361 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 35, first atom 1161 (109328 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 36, first atom 221 (105785 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 37, first atom 1158 (104637 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 38, first atom 1161 (331255 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 39, first atom 1381 (118530 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 40, first atom 1174 (104302 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 41, first atom 1158 (142576 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 42, first atom 1169 (157238 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 43, first atom 223 (185677 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 44, first atom 1172 (645621 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 45, first atom 1169 (267141 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1296 (103455 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1167 (102217 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 48, first atom 1169 (117153 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 49, first atom 1235 (103691 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 50, first atom 1170 (124220 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 51, first atom 1166 (124188 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 52, first atom 1170 (111633 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 53, first atom 1162 (765488 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 54, first atom 1174 (264787 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 55, first atom 218 (145082 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 56, first atom 1172 (138194 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 57, first atom 1174 (119146 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 58, first atom 1228 (288640 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 60, first atom 1289 (189696 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 2010 (292370 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 62, first atom 1183 (118102 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 63, first atom 1172 (125761 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1155 (120240 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 2010 (727787 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 66, first atom 1179 (113444 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 67, first atom 1166 (120803 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 2009 (103327 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1288 (173386 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1288 (195122 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1193 (123323 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 72, first atom 1287 (229771 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 73, first atom 1287 (130639 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 74, first atom 1185 (150939 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 76, first atom 1170 (101913 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 79, first atom 1155 (154033 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 2007 (173208 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1288 (167697 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1288 (439611 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1288 (196908 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 87, first atom 1288 (207895 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 88, first atom 1235 (102207 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1288 (188226 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 110, first atom 1288 (110934 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.31 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6030 / 6176 solvent mols in 366 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42155 ms
+Warn: 34 atom(s) hit accel clamp on step 0, first atom 1143 (136835 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 1, first atom 1306 (138759 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1535 (575272 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1535 (586038 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1226 (100167 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1226 (122627 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1226 (193581 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1673 (104146 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.28 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6028 / 6175 solvent mols in 366 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43967 ms
+Initializing solvent molecules...
+Solvent-free vol: 185.28 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6028 / 6175 solvent mols in 367 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42168 ms
+Warn: 44 atom(s) hit accel clamp on step 0, first atom 1144 (101604 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 1, first atom 1218 (2357752 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1363 (148062 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1218 (144873 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1329 (110283 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1227 (104822 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1758 (103151 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.28 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6028 / 6175 solvent mols in 366 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41758 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1462 (166428 -> 100000)
+Warn: 303 atom(s) hit accel clamp on step 1, first atom 59 (587346 -> 100000)
+Warn: 125 atom(s) hit accel clamp on step 2, first atom 60 (271707 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 3, first atom 60 (266722 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 4, first atom 60 (110916 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 5, first atom 619 (402213 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 6, first atom 219 (125832 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 7, first atom 74 (118201 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 8, first atom 74 (142404 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 9, first atom 74 (134282 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 10, first atom 1114 (139731 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 11, first atom 221 (156206 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 12, first atom 143 (153913 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 13, first atom 74 (105977 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 14, first atom 79 (161258 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 15, first atom 1109 (110029 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 16, first atom 1146 (125327 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 17, first atom 1170 (101793 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 18, first atom 74 (105390 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 19, first atom 218 (173298 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 20, first atom 1109 (145555 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 21, first atom 1188 (108605 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 22, first atom 1173 (759804 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 23, first atom 1171 (160693 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 24, first atom 1175 (353587 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 25, first atom 217 (180393 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 26, first atom 1189 (113822 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 27, first atom 1168 (133375 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 28, first atom 1174 (309029 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 29, first atom 718 (113210 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 30, first atom 801 (118042 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 31, first atom 801 (158106 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 32, first atom 1162 (108591 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 33, first atom 85 (107422 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 34, first atom 1173 (225243 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 35, first atom 1173 (252106 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 36, first atom 76 (196316 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 37, first atom 1187 (206367 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 38, first atom 1173 (781970 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 39, first atom 1171 (120872 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 40, first atom 1178 (127079 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 41, first atom 1173 (183860 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 42, first atom 1173 (261636 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 43, first atom 1171 (115925 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 44, first atom 800 (117208 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 45, first atom 1131 (112257 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 46, first atom 1131 (108050 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 47, first atom 1165 (193017 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 48, first atom 1173 (167100 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 49, first atom 84 (141241 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 50, first atom 1173 (385806 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 51, first atom 1174 (119752 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 52, first atom 1173 (134443 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 53, first atom 1131 (160358 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 54, first atom 1131 (123055 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 55, first atom 1175 (173410 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 56, first atom 75 (182573 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 57, first atom 1178 (165878 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1239 (105932 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 59, first atom 1291 (719738 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1173 (2108854 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 61, first atom 1173 (1496940 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1983 (107250 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 63, first atom 1166 (105424 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 64, first atom 1167 (100946 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 65, first atom 1173 (544286 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 66, first atom 1173 (184532 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 67, first atom 1173 (113872 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1175 (107856 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 69, first atom 1174 (2105950 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 70, first atom 1174 (285662 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 71, first atom 74 (129506 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 72, first atom 1174 (139888 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 73, first atom 1173 (100157 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 74, first atom 1166 (205983 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 75, first atom 1176 (146777 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1770 (110406 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 79, first atom 1178 (118981 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1770 (2128535 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1173 (126852 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1178 (154736 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 84, first atom 1168 (120851 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 86, first atom 1176 (169040 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1173 (107882 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1178 (100827 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 90, first atom 1173 (111003 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 92, first atom 1178 (102392 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1174 (362167 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 96, first atom 1174 (115404 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 97, first atom 1166 (353890 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 101, first atom 1520 (111634 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 110, first atom 1190 (121201 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 115, first atom 1177 (113960 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 930 (124237 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1866 (493779 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1866 (221135 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1866 (181289 -> 100000)
+Warn: 303 atom(s) hit accel clamp on step 4, first atom 59 (579271 -> 100000)
+Warn: 126 atom(s) hit accel clamp on step 5, first atom 60 (197594 -> 100000)
+Warn: 84 atom(s) hit accel clamp on step 6, first atom 60 (268010 -> 100000)
+Warn: 87 atom(s) hit accel clamp on step 7, first atom 60 (119379 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 8, first atom 60 (114567 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 9, first atom 59 (107761 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 10, first atom 221 (268296 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 11, first atom 221 (219014 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 12, first atom 217 (167338 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 13, first atom 153 (119489 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 14, first atom 1158 (328798 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 15, first atom 140 (124313 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 16, first atom 1151 (130845 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 17, first atom 79 (105064 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 18, first atom 1156 (238116 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 19, first atom 1158 (194705 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 20, first atom 1143 (111465 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 21, first atom 81 (102330 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 22, first atom 84 (117386 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 23, first atom 803 (114558 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 24, first atom 1143 (112369 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 25, first atom 1143 (124330 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 26, first atom 1143 (111523 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 27, first atom 1151 (117093 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 28, first atom 77 (202952 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 29, first atom 1161 (363028 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 30, first atom 1164 (132792 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 31, first atom 1144 (115157 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 32, first atom 1159 (123011 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 33, first atom 1166 (232056 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 34, first atom 1159 (134960 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 35, first atom 1172 (427820 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 36, first atom 1172 (246103 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 37, first atom 1171 (102732 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 38, first atom 1171 (119797 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 39, first atom 1158 (101921 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 40, first atom 1230 (120646 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 41, first atom 1164 (129646 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 42, first atom 1159 (182514 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 43, first atom 1161 (104116 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 44, first atom 1158 (194353 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 45, first atom 1164 (176447 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 46, first atom 74 (127395 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 47, first atom 1167 (125412 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 48, first atom 1147 (128064 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 49, first atom 1170 (146938 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 50, first atom 1147 (124699 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 51, first atom 1166 (224051 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1166 (109739 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 53, first atom 1173 (109369 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 54, first atom 1380 (379796 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 55, first atom 1147 (119806 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 56, first atom 1151 (188533 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1172 (1133141 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 58, first atom 1147 (130694 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 59, first atom 1171 (127472 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1173 (154838 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 61, first atom 1167 (106281 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 62, first atom 76 (108114 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1169 (159150 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1231 (288071 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1167 (118562 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1224 (108272 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1172 (169128 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1204 (102431 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 69, first atom 1172 (126357 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1171 (169085 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 71, first atom 1171 (156214 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1215 (125738 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 73, first atom 1171 (174372 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 75, first atom 1166 (190052 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1166 (153389 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 77, first atom 1168 (103776 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 79, first atom 1172 (471775 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1176 (153616 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 81, first atom 1167 (174983 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1176 (115783 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 84, first atom 1166 (125875 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1171 (122424 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1170 (132523 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 91, first atom 1167 (313216 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1168 (111805 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1169 (117422 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 98, first atom 1166 (112916 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 102, first atom 1742 (105252 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 104, first atom 1742 (124052 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.14 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6028 / 6170 solvent mols in 406 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43751 ms
+Warn: 46 atom(s) hit accel clamp on step 0, first atom 1165 (112035 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 1, first atom 1221 (130465 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1221 (123320 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1221 (311100 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1221 (122429 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1324 (110577 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1459 (104355 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.11 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6026 / 6169 solvent mols in 369 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44246 ms
+Initializing solvent molecules...
+Solvent-free vol: 185.11 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6026 / 6169 solvent mols in 365 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42941 ms
+Warn: 43 atom(s) hit accel clamp on step 0, first atom 1171 (399332 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 1, first atom 1224 (1282643 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1369 (127204 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 3, first atom 1224 (109327 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1550 (145580 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1630 (118313 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1369 (106888 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 10, first atom 1466 (103781 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1233 (125055 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.11 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6026 / 6169 solvent mols in 369 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42247 ms
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1462 (105970 -> 100000)
+Warn: 280 atom(s) hit accel clamp on step 1, first atom 59 (584638 -> 100000)
+Warn: 125 atom(s) hit accel clamp on step 2, first atom 60 (270631 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 3, first atom 60 (267502 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 4, first atom 60 (117201 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 5, first atom 1158 (103672 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 6, first atom 219 (136332 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 7, first atom 60 (100588 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 8, first atom 74 (139828 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 9, first atom 74 (129356 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 10, first atom 140 (180445 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 11, first atom 1182 (1032534 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 12, first atom 1182 (130993 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 13, first atom 77 (139198 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 14, first atom 79 (161842 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 15, first atom 1116 (111998 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 16, first atom 1177 (162133 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 17, first atom 1172 (169000 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 18, first atom 1172 (173332 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 19, first atom 74 (111851 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 20, first atom 1116 (167793 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 21, first atom 221 (256869 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 22, first atom 1180 (441589 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 23, first atom 334 (103470 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 24, first atom 1175 (233158 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 25, first atom 1118 (156744 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 26, first atom 1116 (136832 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 27, first atom 1179 (198467 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 28, first atom 1184 (242689 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 29, first atom 1189 (102797 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 30, first atom 218 (163664 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 31, first atom 219 (195853 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 32, first atom 1169 (150923 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 33, first atom 1157 (128813 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 34, first atom 76 (112742 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 35, first atom 1180 (173034 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 36, first atom 1185 (151914 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 37, first atom 1185 (177388 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 38, first atom 1185 (2048555 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 39, first atom 1172 (108911 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 40, first atom 1182 (648498 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 41, first atom 1182 (459552 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 42, first atom 76 (142636 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 43, first atom 1181 (141141 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 44, first atom 1180 (4313977 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 45, first atom 1173 (199979 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 46, first atom 58 (174267 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 47, first atom 1131 (139657 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 48, first atom 1172 (389794 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1172 (1138505 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 50, first atom 1172 (1872434 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 51, first atom 1172 (996938 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 52, first atom 1172 (747965 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1172 (256100 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1172 (260408 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 55, first atom 1172 (156458 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 56, first atom 1167 (461954 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1172 (1605331 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 58, first atom 1172 (888478 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 59, first atom 1172 (669428 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 60, first atom 1172 (786966 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 61, first atom 1166 (268677 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 62, first atom 1180 (389331 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 63, first atom 1180 (717962 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1172 (122302 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 65, first atom 1166 (319100 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1204 (122270 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1166 (412749 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 68, first atom 1166 (261109 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1175 (159228 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 70, first atom 1208 (105033 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 71, first atom 1185 (125403 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1182 (301710 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 73, first atom 1185 (191847 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 74, first atom 1181 (106071 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 75, first atom 1185 (104902 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 76, first atom 1185 (175424 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1185 (116958 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 79, first atom 1172 (172454 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1185 (132553 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 82, first atom 1166 (112154 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 83, first atom 1172 (162924 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 84, first atom 1204 (293932 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1204 (145426 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1205 (139938 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1185 (136191 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1384 (104091 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 96, first atom 1759 (114491 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 97, first atom 1166 (104999 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 101, first atom 1181 (106359 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 114, first atom 1181 (101382 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.10 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6027 / 6169 solvent mols in 427 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41948 ms
+Warn: 35 atom(s) hit accel clamp on step 0, first atom 1156 (202509 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1156 (114960 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1760 (138787 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1460 (206353 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1228 (117390 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 13, first atom 1239 (177547 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.08 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6025 / 6168 solvent mols in 389 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43734 ms
+Initializing solvent molecules...
+Solvent-free vol: 185.08 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6025 / 6168 solvent mols in 368 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42811 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1471 (184487 -> 100000)
+Warn: 311 atom(s) hit accel clamp on step 1, first atom 59 (584201 -> 100000)
+Warn: 130 atom(s) hit accel clamp on step 2, first atom 60 (273165 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 3, first atom 60 (266875 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 4, first atom 60 (100340 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 5, first atom 1161 (109229 -> 100000)
+Warn: 81 atom(s) hit accel clamp on step 6, first atom 219 (136732 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 7, first atom 74 (113972 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 8, first atom 74 (145104 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 9, first atom 74 (137626 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 10, first atom 140 (171801 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 11, first atom 1183 (136794 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 12, first atom 140 (140233 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 13, first atom 77 (153732 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 14, first atom 79 (130258 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 15, first atom 1119 (124772 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 16, first atom 1173 (196565 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 17, first atom 1198 (101256 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 18, first atom 222 (152099 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 19, first atom 1159 (116505 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 20, first atom 1178 (123529 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 21, first atom 1173 (104946 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 22, first atom 1183 (2132469 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 23, first atom 1145 (113131 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 24, first atom 73 (252563 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 25, first atom 73 (128603 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 26, first atom 221 (131013 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 27, first atom 813 (132151 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 28, first atom 217 (129691 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 29, first atom 1175 (118170 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 30, first atom 1172 (100462 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 31, first atom 1183 (350145 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 32, first atom 1532 (130480 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 33, first atom 1183 (272029 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 34, first atom 1183 (548921 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 35, first atom 1192 (164664 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 36, first atom 1163 (117157 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 37, first atom 1183 (120717 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 38, first atom 816 (101879 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 39, first atom 1189 (172061 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 40, first atom 816 (107507 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 41, first atom 819 (101745 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 42, first atom 77 (183035 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 43, first atom 819 (113009 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 44, first atom 1181 (106206 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 45, first atom 817 (144859 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 46, first atom 1183 (167888 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 47, first atom 1183 (278259 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 48, first atom 1183 (121332 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 49, first atom 1177 (120619 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 50, first atom 1176 (144201 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 51, first atom 1183 (275354 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 52, first atom 814 (100152 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 53, first atom 1188 (269303 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 54, first atom 1183 (120698 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 55, first atom 1183 (169087 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 56, first atom 1188 (120208 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 57, first atom 79 (112952 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 58, first atom 1188 (151726 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 59, first atom 1242 (103058 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1188 (159142 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 61, first atom 77 (101372 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 62, first atom 1178 (145666 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 63, first atom 1184 (109351 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1346 (185592 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1187 (104331 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1188 (187009 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 67, first atom 1207 (193923 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 68, first atom 1188 (161188 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 69, first atom 1184 (120476 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 70, first atom 814 (112785 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1183 (100075 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 73, first atom 1540 (134329 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1302 (109071 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1185 (151986 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 78, first atom 1183 (102428 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 79, first atom 1188 (144251 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1545 (107715 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1770 (123845 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1759 (106195 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 86, first atom 1750 (262884 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 88, first atom 1188 (110573 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1185 (132439 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1185 (108770 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 98, first atom 1642 (137322 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1771 (137541 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 100, first atom 1772 (123413 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 123, first atom 1187 (102470 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 124, first atom 1187 (194253 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1706 (114639 -> 100000)
+Warn: 304 atom(s) hit accel clamp on step 10, first atom 59 (524595 -> 100000)
+Warn: 125 atom(s) hit accel clamp on step 11, first atom 60 (143192 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 12, first atom 60 (154081 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 13, first atom 62 (181322 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 14, first atom 51 (149998 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 15, first atom 59 (256226 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 16, first atom 70 (117302 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 17, first atom 1172 (169071 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 18, first atom 1070 (130249 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 19, first atom 1010 (163735 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 20, first atom 70 (176582 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 21, first atom 79 (104085 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 22, first atom 1172 (104051 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 23, first atom 525 (127504 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 24, first atom 734 (120182 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 25, first atom 353 (148097 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 26, first atom 519 (134385 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 27, first atom 519 (129065 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 28, first atom 511 (123357 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 29, first atom 141 (170157 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 30, first atom 1182 (182474 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 31, first atom 76 (190885 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 32, first atom 1201 (100507 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 33, first atom 77 (127420 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 34, first atom 519 (132644 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 35, first atom 1182 (119536 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 36, first atom 141 (134775 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 37, first atom 512 (144119 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 38, first atom 512 (105585 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 39, first atom 1188 (137175 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 40, first atom 223 (101851 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 41, first atom 311 (133274 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 42, first atom 815 (166217 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 43, first atom 1268 (134810 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 44, first atom 618 (118605 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 45, first atom 1172 (100051 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 46, first atom 1198 (196477 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 47, first atom 618 (152211 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 48, first atom 1201 (1188749 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 49, first atom 1194 (122993 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 50, first atom 1395 (170974 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 51, first atom 514 (111036 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 52, first atom 619 (192218 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 53, first atom 1160 (532764 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 54, first atom 1160 (483375 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 55, first atom 1158 (118979 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 56, first atom 1185 (102819 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 57, first atom 1186 (146583 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 58, first atom 1243 (109845 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 59, first atom 1177 (165256 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 60, first atom 1239 (120994 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 61, first atom 1168 (146155 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 62, first atom 514 (103283 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 63, first atom 1544 (102833 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 64, first atom 1244 (263555 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 65, first atom 1250 (109402 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 66, first atom 1168 (122688 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 67, first atom 1232 (102005 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 68, first atom 1201 (106792 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 69, first atom 1198 (116275 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 70, first atom 1232 (210064 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 71, first atom 1198 (105194 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 72, first atom 1200 (121996 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 73, first atom 1540 (131075 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 74, first atom 1302 (370989 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 75, first atom 1232 (100929 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 76, first atom 1200 (112190 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 77, first atom 1529 (104039 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 78, first atom 1522 (193132 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 79, first atom 1200 (143784 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 80, first atom 1770 (235199 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1546 (207218 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 82, first atom 1370 (194194 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1640 (118872 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 2017 (160432 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 85, first atom 1550 (100111 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1550 (192010 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1552 (105048 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 88, first atom 1548 (122903 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 89, first atom 1540 (136033 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 90, first atom 1640 (182308 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 91, first atom 1541 (120898 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 92, first atom 1183 (118366 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 93, first atom 1541 (253688 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 94, first atom 1183 (104920 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 95, first atom 1546 (185557 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 96, first atom 1540 (139838 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 97, first atom 1640 (150591 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 98, first atom 2017 (175970 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 100, first atom 1543 (102478 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 102, first atom 1640 (108536 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 104, first atom 1646 (168874 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 106, first atom 1545 (107830 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 108, first atom 1183 (102658 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 111, first atom 1620 (105566 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 113, first atom 1647 (119583 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 116, first atom 1646 (153477 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 126, first atom 1551 (109186 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1928 (162354 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1945 (115458 -> 100000)
+Warn: 313 atom(s) hit accel clamp on step 4, first atom 59 (554237 -> 100000)
+Warn: 124 atom(s) hit accel clamp on step 5, first atom 60 (216123 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 6, first atom 60 (268250 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 7, first atom 60 (118629 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 8, first atom 60 (130142 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 9, first atom 59 (105296 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 10, first atom 60 (200301 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 11, first atom 221 (105209 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 12, first atom 74 (139519 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 13, first atom 74 (133668 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 14, first atom 1177 (529086 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 15, first atom 81 (198034 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 16, first atom 143 (134490 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 17, first atom 1175 (116864 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 18, first atom 81 (160837 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 19, first atom 84 (102154 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 20, first atom 1162 (185972 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 21, first atom 1162 (504980 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 22, first atom 520 (111933 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 23, first atom 1184 (104160 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 24, first atom 1164 (101029 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 25, first atom 1195 (222839 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 26, first atom 1188 (102018 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 27, first atom 80 (171456 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 28, first atom 84 (106290 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 29, first atom 74 (139286 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 30, first atom 514 (124933 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 31, first atom 1178 (980184 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 32, first atom 1178 (199578 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 33, first atom 1203 (172325 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 34, first atom 1179 (109253 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 35, first atom 1195 (157501 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 36, first atom 1180 (118424 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 37, first atom 1355 (111679 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 38, first atom 1205 (488623 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 39, first atom 519 (148315 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 40, first atom 75 (170384 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 41, first atom 517 (103636 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 42, first atom 1174 (126019 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 43, first atom 522 (126616 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 44, first atom 1177 (202375 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 45, first atom 1183 (103600 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 46, first atom 1178 (124177 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 47, first atom 1185 (128830 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 48, first atom 1168 (858765 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 49, first atom 1168 (126227 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 50, first atom 1189 (290522 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 51, first atom 1209 (116112 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 52, first atom 1209 (105345 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 53, first atom 1185 (1043069 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 54, first atom 1185 (110754 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 55, first atom 1185 (169353 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 56, first atom 1185 (132645 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 57, first atom 1185 (456905 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 58, first atom 1179 (142796 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 59, first atom 1193 (190545 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1204 (106130 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 61, first atom 1209 (426670 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 62, first atom 1209 (280728 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 63, first atom 1244 (127160 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 64, first atom 1185 (221450 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 65, first atom 1223 (104857 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 66, first atom 1185 (608911 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 67, first atom 1185 (194976 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1185 (373474 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 69, first atom 1244 (108585 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 70, first atom 1245 (108053 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 71, first atom 1524 (101617 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 72, first atom 1305 (126963 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 73, first atom 1191 (2074203 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 74, first atom 1191 (163709 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 75, first atom 1209 (128443 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 76, first atom 1187 (255047 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 77, first atom 1185 (239819 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1565 (181961 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 79, first atom 1185 (114347 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1565 (743585 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1565 (225616 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1542 (737385 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 83, first atom 1542 (278813 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 87, first atom 1547 (319159 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1547 (239958 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1187 (122160 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 90, first atom 1187 (257702 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1542 (232411 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1190 (105465 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 93, first atom 1187 (113347 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 95, first atom 1542 (210695 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 98, first atom 1550 (111758 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 102, first atom 1542 (103166 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 103, first atom 1542 (124574 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 104, first atom 1545 (127772 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 105, first atom 1542 (490000 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 109, first atom 1547 (132280 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 110, first atom 1187 (119586 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 117, first atom 1552 (102618 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 119, first atom 1552 (104178 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.07 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6027 / 6168 solvent mols in 392 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44452 ms
+Warn: 34 atom(s) hit accel clamp on step 0, first atom 1159 (197275 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 1, first atom 1231 (158891 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1198 (258484 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1231 (133236 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1909 (157190 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.06 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6025 / 6168 solvent mols in 371 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44497 ms
+Initializing solvent molecules...
+Solvent-free vol: 185.06 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6025 / 6168 solvent mols in 367 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44274 ms
+Warn: 42 atom(s) hit accel clamp on step 0, first atom 1160 (197613 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 1, first atom 1180 (150223 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1378 (131516 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1234 (198520 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 4, first atom 1234 (132648 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 8, first atom 1243 (121973 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1931 (114780 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.05 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6025 / 6167 solvent mols in 367 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42155 ms
+Initializing solvent molecules...
+Solvent-free vol: 185.05 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6025 / 6167 solvent mols in 367 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44258 ms
+Warn: 39 atom(s) hit accel clamp on step 0, first atom 1178 (311588 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 1, first atom 1234 (749091 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1234 (181872 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 3, first atom 1234 (131528 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1232 (113091 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1232 (1135627 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1232 (458068 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 10, first atom 1232 (112551 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1243 (103856 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 12, first atom 1232 (208212 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 13, first atom 1232 (120531 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 185.05 Cell vol: 210.34 (ų / 1,000). Dims: 65.06343:.2 x 53.93 x 59.94 Å
+Added 6025 / 6167 solvent mols in 389 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42280 ms
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1688 (108365 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1710 (142679 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 3, first atom 1698 (194872 -> 100000)
+Warn: 307 atom(s) hit accel clamp on step 9, first atom 59 (483357 -> 100000)
+Warn: 132 atom(s) hit accel clamp on step 10, first atom 60 (103285 -> 100000)
+Warn: 81 atom(s) hit accel clamp on step 11, first atom 60 (267945 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 12, first atom 69 (287365 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 13, first atom 60 (127453 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 14, first atom 59 (258367 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 15, first atom 142 (194311 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 16, first atom 76 (100275 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 17, first atom 150 (149702 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 18, first atom 1166 (111846 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 19, first atom 1184 (150445 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 20, first atom 1171 (128957 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 21, first atom 79 (198950 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 22, first atom 99 (348966 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 23, first atom 1263 (119354 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 24, first atom 1183 (208059 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 25, first atom 1178 (137050 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 26, first atom 147 (145236 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 27, first atom 819 (105310 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 28, first atom 1133 (112184 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 29, first atom 348 (207487 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 30, first atom 348 (169053 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 31, first atom 815 (111845 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 32, first atom 1173 (202170 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 33, first atom 441 (111754 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 34, first atom 72 (166755 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 35, first atom 72 (137413 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 36, first atom 1173 (129546 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 37, first atom 1164 (110345 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 38, first atom 1186 (367102 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 39, first atom 1189 (129788 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 40, first atom 815 (168878 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 41, first atom 1176 (348888 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 42, first atom 1176 (106060 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 43, first atom 779 (258950 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 44, first atom 1178 (139819 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 45, first atom 72 (129895 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 46, first atom 1187 (153570 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 47, first atom 76 (168868 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 48, first atom 1184 (287442 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 49, first atom 1149 (180909 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 50, first atom 1191 (155097 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 51, first atom 1401 (104929 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 52, first atom 1190 (138793 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 53, first atom 84 (159061 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 54, first atom 1190 (401157 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 55, first atom 1191 (451721 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 56, first atom 1187 (151646 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 57, first atom 353 (131849 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 58, first atom 1173 (110054 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 59, first atom 1191 (116471 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 60, first atom 1178 (148432 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 61, first atom 1191 (322099 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 62, first atom 1178 (151049 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 63, first atom 79 (184359 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 64, first atom 1178 (126082 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 65, first atom 1191 (248037 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 66, first atom 1178 (103306 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 67, first atom 1178 (130991 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 68, first atom 1248 (103413 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 69, first atom 1178 (135093 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 70, first atom 1178 (167184 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 71, first atom 1407 (117094 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 72, first atom 1188 (273435 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 73, first atom 1188 (297928 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 74, first atom 1412 (141434 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 75, first atom 1187 (457923 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1248 (255716 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 77, first atom 1187 (2123775 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 78, first atom 1187 (2106994 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 79, first atom 1186 (101124 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1412 (111822 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 82, first atom 1178 (163155 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1178 (266082 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 84, first atom 1178 (104186 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1178 (581068 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1178 (212351 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 2031 (144258 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 88, first atom 1249 (186215 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1398 (113231 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 90, first atom 1178 (732646 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 91, first atom 1178 (169532 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 93, first atom 2007 (108870 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1781 (102705 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 96, first atom 1190 (167399 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1405 (196720 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 98, first atom 1398 (108940 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 99, first atom 1249 (103964 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 100, first atom 1186 (155391 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 102, first atom 1784 (149204 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 104, first atom 1250 (173660 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 106, first atom 1398 (104022 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 112, first atom 2029 (149359 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 114, first atom 1412 (103802 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 118, first atom 1412 (116497 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 121, first atom 1179 (229132 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 193.20 Cell vol: 218.58 (ų / 1,000). Dims: 65.06343:.2 x 56.05 x 59.94 Å
+Added 6271 / 6439 solvent mols in 397 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42195 ms
+Warn: 34 atom(s) hit accel clamp on step 0, first atom 1181 (196397 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1208 (102818 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1375 (131964 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1699 (146397 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 13, first atom 1245 (121818 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 192.36 Cell vol: 217.77 (ų / 1,000). Dims: 65.06343:.2 x 55.84 x 59.94 Å
+Added 6254 / 6411 solvent mols in 421 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42760 ms
+Initializing solvent molecules...
+Solvent-free vol: 192.36 Cell vol: 217.77 (ų / 1,000). Dims: 65.06343:.2 x 55.84 x 59.94 Å
+Added 6254 / 6411 solvent mols in 410 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44803 ms
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1606 (104793 -> 100000)
+Warn: 302 atom(s) hit accel clamp on step 1, first atom 59 (584993 -> 100000)
+Warn: 129 atom(s) hit accel clamp on step 2, first atom 60 (271526 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 3, first atom 60 (266801 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 4, first atom 60 (107770 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 5, first atom 60 (100901 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 6, first atom 219 (137751 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 7, first atom 446 (146083 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 8, first atom 74 (142657 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 9, first atom 74 (133656 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 10, first atom 140 (273297 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 11, first atom 567 (173863 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 12, first atom 140 (164674 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 13, first atom 77 (134755 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 14, first atom 79 (133202 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 15, first atom 1129 (103018 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 16, first atom 1127 (109697 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 17, first atom 1215 (168707 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 18, first atom 1170 (166626 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 19, first atom 1167 (131202 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 20, first atom 1167 (207331 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 21, first atom 1126 (110131 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 22, first atom 440 (165055 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 23, first atom 78 (167704 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 24, first atom 1195 (190815 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 25, first atom 1188 (296660 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 26, first atom 619 (143369 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 27, first atom 74 (179084 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 28, first atom 79 (172702 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 29, first atom 636 (100532 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 30, first atom 1190 (618787 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 31, first atom 1179 (238590 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 32, first atom 1179 (313807 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 33, first atom 84 (115387 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 34, first atom 1183 (193244 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 35, first atom 1148 (119802 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 36, first atom 1193 (100649 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 37, first atom 1190 (120416 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 38, first atom 1177 (101692 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 39, first atom 1195 (232962 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 40, first atom 1207 (137964 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 41, first atom 1148 (142162 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 1256 (116856 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 43, first atom 1348 (1724410 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 44, first atom 1240 (120873 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 45, first atom 1190 (122623 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 46, first atom 818 (112845 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 47, first atom 1194 (104947 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 48, first atom 1194 (308153 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 49, first atom 1190 (131464 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 50, first atom 1283 (107100 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 51, first atom 1190 (2083739 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 52, first atom 1190 (801218 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 53, first atom 60 (134085 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 54, first atom 1190 (284176 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 55, first atom 1191 (2093530 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 56, first atom 1190 (188928 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 57, first atom 1256 (130729 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1190 (107279 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1394 (103970 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1193 (162061 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1191 (109804 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1249 (129976 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 63, first atom 1226 (107436 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1226 (126862 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 65, first atom 1226 (191239 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1194 (1081623 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 67, first atom 1194 (939465 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1192 (208682 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 69, first atom 1192 (554200 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 70, first atom 1192 (230137 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1196 (249418 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1195 (118426 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1196 (101289 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 74, first atom 1192 (264968 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 75, first atom 1200 (105717 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 76, first atom 1195 (230971 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1194 (148511 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1782 (111112 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1195 (137571 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1623 (336472 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1782 (103078 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1782 (107267 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 88, first atom 1552 (127293 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1192 (137709 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 193.18 Cell vol: 218.58 (ų / 1,000). Dims: 65.06343:.2 x 56.05 x 59.94 Å
+Added 6269 / 6438 solvent mols in 390 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44641 ms
+Warn: 43 atom(s) hit accel clamp on step 0, first atom 1183 (110768 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1495 (103404 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1782 (129921 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1758 (124198 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 192.35 Cell vol: 217.77 (ų / 1,000). Dims: 65.06343:.2 x 55.84 x 59.94 Å
+Added 6252 / 6411 solvent mols in 386 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43731 ms
+Initializing solvent molecules...
+Solvent-free vol: 192.35 Cell vol: 217.77 (ų / 1,000). Dims: 65.06343:.2 x 55.84 x 59.94 Å
+Added 6252 / 6411 solvent mols in 384 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 45159 ms
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 954 (348046 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1897 (102984 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1897 (128119 -> 100000)
+Warn: 314 atom(s) hit accel clamp on step 3, first atom 59 (583655 -> 100000)
+Warn: 114 atom(s) hit accel clamp on step 4, first atom 60 (229901 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 5, first atom 60 (268215 -> 100000)
+Warn: 96 atom(s) hit accel clamp on step 6, first atom 60 (134539 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 7, first atom 60 (124868 -> 100000)
+Warn: 90 atom(s) hit accel clamp on step 8, first atom 346 (197792 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 9, first atom 74 (109469 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 10, first atom 74 (140436 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 11, first atom 74 (131117 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 12, first atom 1186 (139646 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 13, first atom 567 (266163 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 14, first atom 77 (343979 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 15, first atom 221 (128657 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 16, first atom 79 (187149 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 17, first atom 353 (166540 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 18, first atom 72 (114886 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 19, first atom 1187 (136296 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 20, first atom 1186 (113180 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 21, first atom 1191 (228289 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 22, first atom 1184 (150222 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 23, first atom 1194 (1570080 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 24, first atom 60 (114981 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 25, first atom 1171 (106265 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 26, first atom 1188 (301288 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 27, first atom 74 (124864 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 28, first atom 74 (120289 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 29, first atom 1183 (162621 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 30, first atom 826 (140146 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 31, first atom 1188 (440351 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 32, first atom 1194 (106424 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 33, first atom 439 (135087 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 34, first atom 439 (137777 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 35, first atom 521 (107152 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 36, first atom 1182 (111996 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 37, first atom 1184 (148184 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 38, first atom 1205 (153205 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 39, first atom 1186 (1770342 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 40, first atom 1171 (106754 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 41, first atom 1200 (102919 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 42, first atom 1187 (167678 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 43, first atom 1183 (110926 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 44, first atom 1179 (138490 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 45, first atom 1200 (103227 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 46, first atom 1187 (184951 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 47, first atom 1186 (651120 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 48, first atom 1186 (114943 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 49, first atom 1194 (121401 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 50, first atom 1195 (107495 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 51, first atom 1187 (233288 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 52, first atom 1175 (111084 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 53, first atom 1194 (843083 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 54, first atom 1196 (209717 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 55, first atom 1196 (149045 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 56, first atom 1179 (111884 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 57, first atom 1196 (294083 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 58, first atom 1194 (116088 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 59, first atom 1196 (112140 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 60, first atom 1196 (125256 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 61, first atom 1187 (104216 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 62, first atom 1308 (141019 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 63, first atom 1182 (115499 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 64, first atom 520 (120748 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1478 (143848 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1398 (133549 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1398 (112837 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 68, first atom 1186 (139362 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 69, first atom 1195 (242651 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 70, first atom 1186 (196270 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 71, first atom 1194 (178361 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 72, first atom 1194 (208682 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1186 (258418 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 74, first atom 1559 (162515 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 75, first atom 1186 (136731 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 76, first atom 1197 (112747 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1199 (292435 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1199 (127371 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 79, first atom 1190 (121439 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1199 (199726 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1556 (304305 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 84, first atom 1186 (120645 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 85, first atom 1195 (130687 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1549 (124572 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1187 (114666 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 88, first atom 1180 (135179 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1641 (105547 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 92, first atom 1180 (153438 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1199 (108708 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 97, first atom 1194 (115787 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 99, first atom 1195 (358519 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 100, first atom 1195 (397702 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 101, first atom 1195 (140502 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 103, first atom 1783 (129335 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 104, first atom 1783 (168919 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 107, first atom 1783 (134846 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 953 (112638 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 954 (160211 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1892 (122045 -> 100000)
+Warn: 321 atom(s) hit accel clamp on step 3, first atom 59 (555701 -> 100000)
+Warn: 129 atom(s) hit accel clamp on step 4, first atom 60 (207074 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 5, first atom 60 (267630 -> 100000)
+Warn: 97 atom(s) hit accel clamp on step 6, first atom 60 (103116 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 7, first atom 60 (112270 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 8, first atom 346 (221503 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 9, first atom 353 (115397 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 10, first atom 142 (104978 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 11, first atom 74 (139523 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 12, first atom 73 (264907 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 13, first atom 78 (122440 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 14, first atom 221 (134646 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 15, first atom 74 (120268 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 16, first atom 79 (180840 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 17, first atom 216 (359103 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 18, first atom 216 (327629 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 19, first atom 74 (132682 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 20, first atom 74 (134712 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 21, first atom 209 (170530 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 22, first atom 209 (100694 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 23, first atom 223 (143983 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 24, first atom 1126 (174526 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 25, first atom 1181 (105601 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 26, first atom 84 (108780 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 27, first atom 84 (137407 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 28, first atom 1166 (119031 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 29, first atom 1189 (125527 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 30, first atom 1183 (118099 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 31, first atom 1182 (139731 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 32, first atom 1183 (1095684 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 33, first atom 1189 (899783 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 34, first atom 143 (200037 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 35, first atom 1183 (107518 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 36, first atom 1183 (150486 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 37, first atom 1183 (100415 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 38, first atom 1176 (108702 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 39, first atom 1194 (263285 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 40, first atom 1183 (100014 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 41, first atom 1192 (133116 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 42, first atom 1192 (169867 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 43, first atom 1192 (104277 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 44, first atom 1213 (133001 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 45, first atom 221 (117190 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 46, first atom 1191 (798972 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 47, first atom 1191 (302688 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 48, first atom 1166 (133319 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 49, first atom 1358 (185821 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 50, first atom 1182 (164682 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 51, first atom 1316 (151365 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 52, first atom 1194 (158152 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 53, first atom 1194 (188942 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 54, first atom 1183 (105863 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 55, first atom 1189 (137285 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 56, first atom 1197 (122176 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 57, first atom 1327 (125998 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 58, first atom 1213 (123879 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 59, first atom 1190 (146232 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 60, first atom 1195 (391917 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 61, first atom 1195 (147429 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 62, first atom 1480 (118529 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 63, first atom 1447 (206796 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1213 (136500 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1299 (162926 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 66, first atom 1199 (419109 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 67, first atom 1199 (105810 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 68, first atom 1194 (111605 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 69, first atom 1299 (102742 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 71, first atom 1317 (113118 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 72, first atom 1194 (106552 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 73, first atom 1194 (116256 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 74, first atom 1194 (144759 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 75, first atom 219 (141748 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 76, first atom 1182 (172273 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 77, first atom 1306 (168613 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 78, first atom 1191 (266422 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1306 (153640 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1199 (130087 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 82, first atom 1447 (113955 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1182 (113727 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1182 (199104 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1184 (143085 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 90, first atom 1190 (118582 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1308 (104455 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 92, first atom 1543 (126870 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1306 (108436 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 94, first atom 1308 (129814 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 95, first atom 1306 (219549 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1306 (111522 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 100, first atom 1198 (114554 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 105, first atom 1308 (142428 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 108, first atom 1552 (108406 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 113, first atom 1308 (108334 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 117, first atom 1308 (103562 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 118, first atom 1308 (135736 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 131, first atom 1191 (166720 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 198.15 Cell vol: 223.66 (ų / 1,000). Dims: 65.06343:.2 x 57.35 x 59.94 Å
+Added 6411 / 6604 solvent mols in 412 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 46026 ms
+Warn: 42 atom(s) hit accel clamp on step 0, first atom 1170 (127685 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 1, first atom 1216 (145680 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1250 (174780 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1247 (143172 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 4, first atom 1250 (108860 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 5, first atom 1171 (100463 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1710 (102276 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 8, first atom 1257 (131604 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1257 (122825 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1780 (112011 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 197.31 Cell vol: 222.86 (ų / 1,000). Dims: 65.06343:.2 x 57.14 x 59.94 Å
+Added 6382 / 6576 solvent mols in 401 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 46688 ms
+Initializing solvent molecules...
+Solvent-free vol: 197.31 Cell vol: 222.86 (ų / 1,000). Dims: 65.06343:.2 x 57.14 x 59.94 Å
+Added 6382 / 6576 solvent mols in 401 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44066 ms
+Warn: 48 atom(s) hit accel clamp on step 0, first atom 1171 (120120 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 1, first atom 1218 (100300 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1253 (152723 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1570 (103895 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1540 (116047 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1939 (103293 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 11, first atom 1253 (226301 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 197.32 Cell vol: 222.86 (ų / 1,000). Dims: 65.06343:.2 x 57.14 x 59.94 Å
+Added 6382 / 6576 solvent mols in 423 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 45523 ms
+Initializing solvent molecules...
+Solvent-free vol: 197.32 Cell vol: 222.86 (ų / 1,000). Dims: 65.06343:.2 x 57.14 x 59.94 Å
+Added 6382 / 6576 solvent mols in 448 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44314 ms
+Warn: 66 atom(s) hit accel clamp on step 0, first atom 141 (172463 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 1, first atom 1171 (193497 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 2, first atom 1171 (343187 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 3, first atom 1171 (114189 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 4, first atom 1171 (228782 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 5, first atom 1171 (116816 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1717 (101163 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 7, first atom 1172 (100987 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1717 (443002 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 10, first atom 1172 (106039 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 11, first atom 1172 (122048 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 12, first atom 1255 (684364 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 14, first atom 1171 (131001 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 17, first atom 1255 (124192 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 18, first atom 1255 (196772 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 19, first atom 1253 (102279 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 197.31 Cell vol: 222.86 (ų / 1,000). Dims: 65.06343:.2 x 57.14 x 59.94 Å
+Added 6382 / 6576 solvent mols in 466 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 45413 ms
+Initializing solvent molecules...
+Solvent-free vol: 197.31 Cell vol: 222.86 (ų / 1,000). Dims: 65.06343:.2 x 57.14 x 59.94 Å
+Added 6382 / 6576 solvent mols in 482 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 45636 ms
+Warn: 44 atom(s) hit accel clamp on step 0, first atom 1145 (108125 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 1, first atom 1256 (121525 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1253 (108161 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1570 (194598 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 4, first atom 1540 (139283 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1644 (136654 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1145 (100678 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 13, first atom 1254 (124235 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 197.31 Cell vol: 222.86 (ų / 1,000). Dims: 65.06343:.2 x 57.14 x 59.94 Å
+Added 6382 / 6576 solvent mols in 415 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 45877 ms
+Warn: 42 atom(s) hit accel clamp on step 0, first atom 1189 (142292 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 1, first atom 1245 (160475 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1253 (184807 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 3, first atom 1245 (154241 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1356 (104664 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1724 (102335 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1253 (104898 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 11, first atom 1253 (298861 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1550 (121709 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 18, first atom 1253 (102765 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 19, first atom 1540 (101595 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 197.32 Cell vol: 222.86 (ų / 1,000). Dims: 65.06343:.2 x 57.14 x 59.94 Å
+Added 6382 / 6576 solvent mols in 400 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43536 ms
+Initializing solvent molecules...
+Solvent-free vol: 197.32 Cell vol: 222.86 (ų / 1,000). Dims: 65.06343:.2 x 57.14 x 59.94 Å
+Added 6382 / 6576 solvent mols in 421 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 45585 ms
+Warn: 40 atom(s) hit accel clamp on step 0, first atom 1189 (282183 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 1, first atom 1568 (105633 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1253 (136779 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1563 (103254 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1480 (163644 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1557 (118612 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 10, first atom 1254 (102381 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 13, first atom 1256 (165018 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1256 (101818 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 197.31 Cell vol: 222.86 (ų / 1,000). Dims: 65.06343:.2 x 57.14 x 59.94 Å
+Added 6382 / 6576 solvent mols in 407 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 44774 ms
+Initializing solvent molecules...
+Solvent-free vol: 197.31 Cell vol: 222.86 (ų / 1,000). Dims: 65.06343:.2 x 57.14 x 59.94 Å
+Added 6382 / 6576 solvent mols in 404 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 45639 ms
+Warn: 50 atom(s) hit accel clamp on step 0, first atom 1145 (284071 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 1, first atom 1339 (101489 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1570 (1130930 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1570 (811608 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 4, first atom 1540 (142423 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1569 (189902 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1145 (100483 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 9, first atom 1256 (129643 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 11, first atom 1565 (257348 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1565 (102948 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1571 (422103 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 16, first atom 1256 (212797 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 197.32 Cell vol: 222.86 (ų / 1,000). Dims: 65.06343:.2 x 57.14 x 59.94 Å
+Added 6382 / 6576 solvent mols in 406 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 46030 ms
+Initializing solvent molecules...
+Solvent-free vol: 197.32 Cell vol: 222.86 (ų / 1,000). Dims: 65.06343:.2 x 57.14 x 59.94 Å
+Added 6382 / 6576 solvent mols in 399 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 43790 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1252 (136189 -> 100000)
+Warn: 326 atom(s) hit accel clamp on step 6, first atom 59 (590376 -> 100000)
+Warn: 123 atom(s) hit accel clamp on step 7, first atom 60 (218375 -> 100000)
+Warn: 84 atom(s) hit accel clamp on step 8, first atom 60 (268965 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 9, first atom 60 (192734 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 10, first atom 69 (100518 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 11, first atom 57 (125704 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 12, first atom 212 (182950 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 13, first atom 141 (126222 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 14, first atom 433 (163628 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 15, first atom 813 (121927 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 16, first atom 1194 (212286 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 17, first atom 79 (174604 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 18, first atom 78 (123355 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 19, first atom 808 (153978 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 20, first atom 348 (175657 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 21, first atom 173 (132518 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 22, first atom 728 (130958 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 23, first atom 1186 (128285 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 24, first atom 1180 (139357 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 25, first atom 1171 (179188 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 26, first atom 1166 (125189 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 27, first atom 1193 (111400 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 28, first atom 1187 (109647 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 29, first atom 214 (162807 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 30, first atom 1179 (174558 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 31, first atom 1190 (109154 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 32, first atom 1188 (141219 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 33, first atom 89 (176614 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 34, first atom 89 (173677 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 35, first atom 1193 (926263 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 36, first atom 1165 (100707 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 37, first atom 81 (103000 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 38, first atom 1170 (164294 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 39, first atom 1237 (139567 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 40, first atom 215 (107013 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 41, first atom 1188 (141277 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 42, first atom 1147 (129878 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 43, first atom 1177 (350924 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 44, first atom 1188 (300655 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 45, first atom 1188 (709107 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 46, first atom 1206 (115704 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 47, first atom 1188 (161138 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 48, first atom 1190 (114976 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 49, first atom 1183 (112056 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 50, first atom 1191 (109709 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 51, first atom 1194 (139430 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 52, first atom 1345 (105854 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 53, first atom 1391 (335465 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 54, first atom 1206 (195109 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 55, first atom 1206 (153149 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 56, first atom 1193 (128782 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 57, first atom 1534 (160252 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1254 (165603 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 59, first atom 1188 (134515 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1208 (116368 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 61, first atom 1189 (113197 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1194 (161247 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 64, first atom 1199 (101180 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 65, first atom 1199 (118477 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 66, first atom 1298 (107253 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 67, first atom 1391 (120780 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 68, first atom 1299 (124513 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1993 (120778 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 70, first atom 1199 (160930 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 71, first atom 1189 (107460 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 72, first atom 1191 (125621 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1993 (124584 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1610 (107591 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 75, first atom 1540 (582153 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 77, first atom 1188 (114646 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1539 (105853 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 79, first atom 1194 (103993 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 80, first atom 1175 (120046 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 81, first atom 1467 (101494 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 84, first atom 1540 (163116 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 86, first atom 1175 (103542 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 88, first atom 1625 (112430 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1404 (120634 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 102, first atom 1190 (198345 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1854 (165535 -> 100000)
+Warn: 321 atom(s) hit accel clamp on step 6, first atom 59 (534545 -> 100000)
+Warn: 119 atom(s) hit accel clamp on step 7, first atom 60 (162787 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 8, first atom 60 (266756 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 9, first atom 69 (281113 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 10, first atom 50 (100562 -> 100000)
+Warn: 78 atom(s) hit accel clamp on step 11, first atom 346 (173992 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 12, first atom 30 (123298 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 13, first atom 142 (130154 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 14, first atom 150 (165752 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 15, first atom 820 (117656 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 16, first atom 231 (128815 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 17, first atom 1160 (121153 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 18, first atom 79 (177656 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 19, first atom 220 (168429 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 20, first atom 353 (178880 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 21, first atom 139 (123171 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 22, first atom 1185 (100896 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 23, first atom 442 (163641 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 24, first atom 139 (215703 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 25, first atom 351 (118684 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 26, first atom 1177 (170807 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 27, first atom 1177 (110624 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 28, first atom 84 (126011 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 29, first atom 707 (117180 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 30, first atom 150 (149663 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 31, first atom 1199 (279400 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 32, first atom 74 (146506 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 33, first atom 74 (139545 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 34, first atom 219 (170468 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 35, first atom 72 (170964 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 36, first atom 822 (126211 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 37, first atom 1259 (157360 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 38, first atom 145 (137205 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 39, first atom 821 (127727 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 40, first atom 1177 (153239 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 41, first atom 1199 (129920 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 42, first atom 1199 (389493 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 43, first atom 514 (104420 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 44, first atom 74 (125720 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 45, first atom 72 (173592 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 46, first atom 72 (114154 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 47, first atom 1199 (321675 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 48, first atom 1192 (205252 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 49, first atom 1199 (247977 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 50, first atom 1199 (152974 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 51, first atom 1200 (215764 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 52, first atom 1192 (216561 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 53, first atom 1192 (175860 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 54, first atom 1191 (141904 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 55, first atom 1199 (144039 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 56, first atom 1202 (135065 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 57, first atom 1268 (132086 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 58, first atom 1187 (118685 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 59, first atom 1386 (166602 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 60, first atom 1205 (238598 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 61, first atom 1269 (106562 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 62, first atom 1201 (583143 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 63, first atom 1191 (135693 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 64, first atom 1204 (101116 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 65, first atom 217 (107063 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 66, first atom 1199 (357359 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 67, first atom 1185 (134976 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 68, first atom 1191 (166464 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 69, first atom 1193 (192229 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 70, first atom 1191 (373283 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 71, first atom 1265 (160812 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 72, first atom 223 (166726 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1554 (117677 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1317 (642900 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1543 (472228 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1191 (110878 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 77, first atom 1316 (315377 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 78, first atom 1203 (148294 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 79, first atom 1260 (100130 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 80, first atom 1542 (111352 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 81, first atom 1215 (108712 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1314 (203576 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1316 (104956 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 84, first atom 1317 (525498 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 85, first atom 1217 (144143 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 87, first atom 1191 (135281 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1558 (111241 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1317 (102976 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1317 (275783 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 92, first atom 221 (133431 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1792 (131601 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 101, first atom 1317 (270585 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 102, first atom 1317 (158813 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 103, first atom 1316 (108312 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 105, first atom 1269 (114581 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 107, first atom 1269 (171718 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 108, first atom 2041 (109836 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 112, first atom 1269 (197285 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 119, first atom 1201 (133294 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 122, first atom 1203 (114482 -> 100000)
+=== [n45000] 6qqe RL done  Wed Aug 19 18:17:10 CST 2026 ===
+=== [n45000] 8d8f RL start Wed Aug 19 18:17:10 CST 2026 ===
+Initializing solvent molecules...
+Solvent-free vol: 177.40 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5912 solvent mols in 377 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40228 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1237 (129527 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.40 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5912 solvent mols in 372 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41114 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1043 (118601 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1082 (172462 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.42 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5787 / 5913 solvent mols in 338 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39866 ms
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1233 (184423 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1233 (101451 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1799 (109289 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.40 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5912 solvent mols in 357 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39344 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.40 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5912 solvent mols in 342 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41167 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1329 (146585 -> 100000)
+Warn: 161 atom(s) hit accel clamp on step 1, first atom 60 (103978 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 2, first atom 1003 (295192 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 3, first atom 1003 (110230 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 4, first atom 1003 (137141 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 5, first atom 1069 (138131 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 6, first atom 1026 (106839 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 7, first atom 1003 (127038 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 8, first atom 1003 (120632 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 9, first atom 1285 (118019 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 10, first atom 1285 (172047 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 11, first atom 1202 (240461 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 1202 (101972 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 13, first atom 1311 (114493 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 14, first atom 1452 (463390 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 15, first atom 1005 (165193 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 16, first atom 1127 (100403 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1199 (111832 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1006 (115260 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 19, first atom 1197 (273813 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 1006 (122767 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 1286 (130439 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1199 (158307 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1199 (113177 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1200 (141829 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1200 (102463 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1903 (131554 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1298 (125113 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1407 (113533 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1125 (102199 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1286 (167332 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1329 (157787 -> 100000)
+Warn: 165 atom(s) hit accel clamp on step 1, first atom 60 (105794 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 2, first atom 1003 (288882 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 3, first atom 1003 (109773 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 4, first atom 1003 (134146 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 5, first atom 1069 (136198 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 6, first atom 1026 (100309 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 7, first atom 1003 (112766 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 8, first atom 1003 (109316 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 9, first atom 1285 (114866 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 10, first atom 1285 (218760 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 11, first atom 1202 (165404 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 12, first atom 1266 (109829 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 13, first atom 1407 (407852 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 14, first atom 1452 (362475 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1005 (161943 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 16, first atom 1204 (109203 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1200 (102966 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 18, first atom 1311 (307100 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 19, first atom 1898 (128472 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 1006 (100344 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 1286 (111952 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1199 (297489 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1452 (130774 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1125 (106608 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1285 (248536 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1287 (119628 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1452 (100556 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1291 (158481 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1125 (143212 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1285 (139943 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1285 (164562 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1285 (110907 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1285 (162097 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1287 (125196 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1798 (125132 -> 100000)
+Warn: 154 atom(s) hit accel clamp on step 7, first atom 111 (262252 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 8, first atom 998 (206670 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 9, first atom 998 (180377 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 10, first atom 998 (103521 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 11, first atom 1040 (109192 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 12, first atom 438 (127154 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 13, first atom 1036 (166483 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 1261 (102790 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 15, first atom 1200 (129484 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 1272 (105013 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 17, first atom 1353 (142083 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 1286 (173688 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 1286 (174758 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1364 (225122 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 1123 (111552 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 22, first atom 1123 (155052 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1122 (124016 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1123 (106140 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1120 (161292 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1120 (132029 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1198 (117745 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1402 (120765 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1000 (101665 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1662 (108693 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1120 (102317 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1287 (139016 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1120 (105103 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1400 (161335 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1839 (106251 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1329 (133419 -> 100000)
+Warn: 162 atom(s) hit accel clamp on step 1, first atom 60 (104790 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 2, first atom 1003 (297256 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 3, first atom 1003 (113457 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 4, first atom 1003 (134373 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 5, first atom 1069 (133620 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 6, first atom 1026 (110999 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 7, first atom 1003 (109094 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 8, first atom 1003 (101666 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 9, first atom 1285 (111130 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 10, first atom 1285 (249573 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 11, first atom 1202 (225295 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 12, first atom 1202 (105378 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 13, first atom 1311 (104035 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 14, first atom 1367 (228819 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 15, first atom 1004 (122320 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 16, first atom 1127 (103736 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1200 (145649 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1199 (142048 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 1197 (424966 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 20, first atom 1452 (161689 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1286 (104508 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1199 (115748 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1365 (120357 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1125 (105506 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1199 (128996 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1452 (123584 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1359 (101366 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1285 (290865 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1287 (186377 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1365 (115960 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1258 (167043 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1821 (115396 -> 100000)
+Warn: 161 atom(s) hit accel clamp on step 7, first atom 111 (262396 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 8, first atom 1000 (237907 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 9, first atom 1000 (144844 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 10, first atom 1000 (185129 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 11, first atom 1282 (146906 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 12, first atom 1164 (118897 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 13, first atom 1038 (173452 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 14, first atom 1289 (125976 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 15, first atom 1282 (124733 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 1423 (129748 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1282 (105379 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 1356 (103493 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1406 (208312 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1357 (110070 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1366 (166328 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1583 (104156 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1200 (128267 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1201 (148487 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1308 (359926 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1346 (124805 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1353 (112465 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1295 (103043 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1400 (116729 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1289 (187023 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1289 (176231 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1846 (112813 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1844 (149527 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1229 (279526 -> 100000)
+Warn: 185 atom(s) hit accel clamp on step 1, first atom 60 (105213 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 2, first atom 1003 (300133 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 3, first atom 455 (174655 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 4, first atom 464 (181896 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 5, first atom 1069 (120884 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 6, first atom 1026 (106396 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 7, first atom 1003 (115280 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 8, first atom 483 (121361 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 9, first atom 1285 (141230 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 10, first atom 1291 (186954 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 11, first atom 1331 (240542 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 1359 (235221 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 13, first atom 1311 (127800 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 14, first atom 1427 (102125 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1005 (160736 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1127 (130610 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1200 (131631 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 1006 (100165 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 1311 (106458 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 20, first atom 1006 (159457 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1286 (114637 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1286 (115842 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1199 (105648 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1017 (105459 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1199 (129021 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1430 (160144 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1434 (755295 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1125 (103109 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1430 (205658 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1430 (289802 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1285 (127168 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1428 (150995 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1285 (106347 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1433 (376454 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1433 (119578 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1125 (123710 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1429 (135574 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1422 (112647 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1125 (137534 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1125 (101020 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1125 (112999 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1361 (148068 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1288 (103305 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1436 (119423 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.42 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5787 / 5913 solvent mols in 344 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39436 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1235 (117894 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1634 (103052 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.40 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5912 solvent mols in 340 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41198 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.38 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5912 solvent mols in 343 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40469 ms
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1026 (104494 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.40 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5912 solvent mols in 334 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40548 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.40 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5912 solvent mols in 337 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40587 ms
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1811 (234406 -> 100000)
+Warn: 176 atom(s) hit accel clamp on step 16, first atom 111 (261600 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 17, first atom 1000 (2344613 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 18, first atom 311 (175289 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 19, first atom 311 (159501 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 20, first atom 1197 (113004 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 21, first atom 312 (126728 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 22, first atom 1038 (155482 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 23, first atom 1263 (141450 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 1291 (138574 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 25, first atom 1291 (246084 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 1290 (236797 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 27, first atom 1290 (469624 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1422 (127086 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1291 (115765 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1291 (100431 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1282 (132343 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1419 (139960 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 1196 (145824 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 34, first atom 1291 (378876 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1283 (145319 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1116 (107359 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1290 (102151 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 38, first atom 1283 (113721 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1290 (132016 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1290 (445773 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 41, first atom 1290 (813443 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1429 (110562 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1288 (278057 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1291 (159363 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1289 (113917 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1289 (111855 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1406 (108735 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1814 (125192 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1398 (135182 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1116 (121380 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1295 (184054 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1296 (128799 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1422 (125662 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1811 (234534 -> 100000)
+Warn: 173 atom(s) hit accel clamp on step 17, first atom 111 (261473 -> 100000)
+Warn: 83 atom(s) hit accel clamp on step 18, first atom 391 (109875 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 19, first atom 311 (174509 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 20, first atom 470 (130388 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 21, first atom 1197 (103609 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 22, first atom 912 (183866 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 23, first atom 1038 (192341 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 24, first atom 1023 (121709 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 1351 (106886 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 26, first atom 1199 (269518 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1295 (170029 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 28, first atom 1020 (146718 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1066 (103892 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1405 (111577 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1125 (106492 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1135 (115286 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1135 (112268 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 34, first atom 1110 (183331 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1125 (174027 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1125 (164211 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 37, first atom 1041 (107983 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1122 (133047 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1125 (208963 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1125 (151032 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1125 (150401 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1637 (106533 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1897 (101556 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1110 (120713 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1904 (287717 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1289 (993568 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1288 (119536 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1290 (163461 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1290 (255461 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1288 (103014 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1449 (104054 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1294 (148585 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1838 (339924 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1352 (117454 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1352 (152743 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1288 (102950 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1840 (110516 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1291 (135070 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 107, first atom 1290 (116201 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.50 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5788 / 5916 solvent mols in 354 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41396 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1041 (100191 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1708 (100637 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.48 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5791 / 5915 solvent mols in 339 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40890 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.48 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5791 / 5915 solvent mols in 340 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41394 ms
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1228 (317275 -> 100000)
+Warn: 184 atom(s) hit accel clamp on step 1, first atom 60 (105211 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 2, first atom 1002 (325612 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 3, first atom 457 (174547 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 4, first atom 466 (252435 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 5, first atom 1068 (129157 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 6, first atom 1025 (107102 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 7, first atom 1004 (153389 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 8, first atom 485 (171818 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 9, first atom 1284 (138747 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 10, first atom 1290 (159986 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 11, first atom 1284 (123146 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 12, first atom 1311 (108899 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 13, first atom 1406 (264742 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 1003 (147805 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 15, first atom 1004 (1057453 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 16, first atom 1002 (102462 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1005 (186759 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 1004 (102481 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 19, first atom 1112 (160869 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1363 (106260 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1364 (103511 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1285 (111377 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1198 (109681 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1288 (121244 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1364 (118667 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 26, first atom 1003 (114466 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1420 (124458 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1441 (228172 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1320 (123597 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1284 (171831 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1425 (343594 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1425 (154539 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1427 (137468 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1297 (104267 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1430 (218231 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1430 (126671 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1290 (110978 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1441 (308742 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1426 (125723 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1420 (158559 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1420 (178887 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1451 (134140 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1420 (133000 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1441 (103479 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1427 (102232 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1426 (106409 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1419 (131818 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1310 (104721 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1320 (101440 -> 100000)
+Warn: 165 atom(s) hit accel clamp on step 1, first atom 60 (102653 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 2, first atom 998 (322141 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 3, first atom 998 (110275 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 4, first atom 998 (128882 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 5, first atom 1064 (129836 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 6, first atom 1021 (112861 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 7, first atom 1000 (138024 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 8, first atom 998 (100379 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 9, first atom 1280 (113115 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 10, first atom 1280 (178394 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 11, first atom 1197 (158878 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 12, first atom 1261 (155454 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 13, first atom 1404 (290322 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 999 (218454 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 998 (108492 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 16, first atom 1199 (117745 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 17, first atom 1194 (159492 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1194 (183088 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 1001 (100362 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1195 (102056 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1194 (310656 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1194 (289862 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1195 (109922 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1284 (106648 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1666 (102670 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1897 (121144 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1195 (110387 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1283 (120605 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1280 (107501 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1280 (102657 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.50 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5787 / 5916 solvent mols in 337 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40762 ms
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1043 (103254 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1082 (122155 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.48 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5915 solvent mols in 341 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39421 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.48 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5915 solvent mols in 340 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41288 ms
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 1031 (122733 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1066 (105674 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1066 (505034 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1066 (505541 -> 100000)
+Warn: 165 atom(s) hit accel clamp on step 4, first atom 117 (262543 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 5, first atom 1049 (171485 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 6, first atom 463 (174272 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 7, first atom 476 (108254 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 8, first atom 1231 (121156 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 9, first atom 1048 (157495 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 10, first atom 1046 (256418 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 11, first atom 1046 (152943 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 1046 (146606 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 13, first atom 1046 (129770 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 14, first atom 1204 (217469 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 15, first atom 1363 (107817 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 1293 (215887 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1293 (210758 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 1066 (119888 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1205 (100490 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1202 (131349 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 1254 (126836 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1293 (103943 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1130 (104347 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1411 (103884 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 25, first atom 1045 (120295 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 26, first atom 1293 (196892 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1300 (145224 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1429 (161125 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1313 (207933 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1294 (152625 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1414 (118003 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1429 (230132 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1433 (191077 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1048 (105253 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1429 (125142 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1409 (133449 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1429 (254901 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1429 (259711 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1425 (190588 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1356 (117162 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1429 (208755 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1356 (125984 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1323 (146150 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1423 (159359 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1423 (307415 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1429 (155462 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1356 (245874 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1423 (107424 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1423 (153804 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1432 (107799 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1424 (114205 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1425 (317776 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1431 (108548 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1257 (129065 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1795 (138542 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1795 (108149 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1795 (145032 -> 100000)
+Warn: 160 atom(s) hit accel clamp on step 5, first atom 111 (262302 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 6, first atom 1040 (183738 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 7, first atom 457 (173683 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 8, first atom 470 (106386 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 9, first atom 1114 (123808 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 10, first atom 1037 (126364 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 11, first atom 1037 (344022 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 1262 (154476 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 13, first atom 1281 (141629 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 1287 (246303 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1262 (107127 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 1287 (1628722 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1287 (1428966 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1287 (298306 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 466 (130423 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 1283 (197045 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 1200 (153435 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1287 (186768 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 1121 (112846 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1307 (108491 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1423 (871827 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1287 (268535 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1305 (113586 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1287 (185730 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1287 (176839 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1423 (111995 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1288 (212651 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1288 (164702 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1423 (414513 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1422 (168609 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1422 (172068 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1422 (254656 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1422 (121400 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1416 (110320 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1401 (151183 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1420 (158835 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1420 (156934 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1423 (191426 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1422 (529646 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1422 (221113 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1417 (150173 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1423 (206172 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1448 (135373 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1423 (249944 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1423 (153045 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1424 (136138 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1422 (115844 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1422 (132865 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1427 (100171 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1423 (103019 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1423 (275591 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 134, first atom 1423 (156870 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.50 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5787 / 5916 solvent mols in 366 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41645 ms
+Warn: 12 atom(s) hit accel clamp on step 0, first atom 1065 (3020228 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1067 (303954 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1067 (123331 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1067 (118955 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.48 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5915 solvent mols in 377 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41523 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.48 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5915 solvent mols in 341 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39753 ms
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 1074 (529603 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1078 (160068 -> 100000)
+Warn: 153 atom(s) hit accel clamp on step 6, first atom 117 (262045 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 7, first atom 1051 (202208 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 8, first atom 465 (173585 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 9, first atom 1052 (133040 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 10, first atom 1265 (208645 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 11, first atom 923 (107075 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 12, first atom 1048 (221775 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 13, first atom 1265 (107747 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 1284 (108699 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 1122 (100319 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 16, first atom 1254 (102301 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 17, first atom 1310 (212449 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1290 (110327 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 19, first atom 1358 (123123 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 20, first atom 1317 (117991 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1290 (123672 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1364 (101978 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1290 (280841 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1290 (214889 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1360 (120968 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1425 (298912 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1425 (233912 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1129 (127743 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1129 (101867 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1425 (161767 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1129 (133482 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1425 (159822 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1420 (217394 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1641 (103161 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1426 (100851 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1425 (145570 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1418 (137670 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1425 (107282 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1421 (109777 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1420 (127089 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1420 (133680 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1260 (143368 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1798 (137071 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1798 (157861 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1811 (106931 -> 100000)
+Warn: 165 atom(s) hit accel clamp on step 7, first atom 59 (548519 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 8, first atom 60 (272363 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 9, first atom 60 (270433 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 10, first atom 60 (225059 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 11, first atom 66 (123778 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 12, first atom 918 (108144 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 13, first atom 1043 (303267 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 14, first atom 1068 (359318 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 15, first atom 1079 (146130 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 1131 (424127 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 17, first atom 1088 (119886 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1643 (135269 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 19, first atom 1205 (390790 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 1406 (211014 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1208 (141893 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1410 (103520 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 1090 (157657 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1090 (263817 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1885 (183488 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1059 (104073 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1130 (278390 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 28, first atom 1065 (104035 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1130 (100906 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1064 (102504 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1422 (165456 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1136 (128092 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1130 (118108 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1400 (111448 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1067 (216147 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1045 (117595 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1136 (183837 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1061 (130358 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1837 (135030 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1400 (105097 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1060 (136135 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1068 (160300 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1425 (154767 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1061 (104859 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1061 (149727 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1425 (112194 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1060 (119921 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1358 (101697 -> 100000)
+Warn: 174 atom(s) hit accel clamp on step 1, first atom 59 (605038 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 2, first atom 60 (282557 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 3, first atom 60 (251927 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 4, first atom 69 (169642 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 5, first atom 1069 (114960 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 6, first atom 1029 (100810 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 7, first atom 1006 (117109 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 8, first atom 1006 (119699 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 9, first atom 1074 (131136 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 10, first atom 1131 (156308 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 11, first atom 1131 (168900 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 1255 (137073 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 13, first atom 1105 (121505 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 14, first atom 1066 (106515 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 15, first atom 1006 (143247 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 16, first atom 1204 (136831 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1200 (118849 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 18, first atom 1199 (108051 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1197 (329087 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1009 (109109 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 1006 (113048 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1068 (193544 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1199 (100841 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1200 (149864 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1029 (112484 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1105 (131452 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1067 (103052 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1906 (155095 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1068 (149258 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1234 (102610 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1105 (110529 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1287 (129459 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1068 (123746 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1062 (108408 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1643 (116774 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.50 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5787 / 5916 solvent mols in 339 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39372 ms
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 1051 (113804 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1069 (108319 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.48 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5915 solvent mols in 370 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41888 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.47 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5915 solvent mols in 338 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41378 ms
+Warn: 13 atom(s) hit accel clamp on step 0, first atom 1069 (4191806 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 1, first atom 1069 (722718 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1088 (103325 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1088 (105250 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1810 (113649 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 13, first atom 1088 (118582 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.48 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5915 solvent mols in 374 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39760 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.48 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5915 solvent mols in 355 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42144 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1326 (477531 -> 100000)
+Warn: 180 atom(s) hit accel clamp on step 1, first atom 59 (605008 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 2, first atom 60 (282395 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 3, first atom 60 (267738 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 4, first atom 69 (169084 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 5, first atom 1031 (107007 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 6, first atom 1031 (107958 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 1008 (120451 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 8, first atom 1008 (130499 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 9, first atom 1070 (101292 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 10, first atom 1133 (208318 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 11, first atom 1090 (110871 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 1252 (129625 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 13, first atom 1090 (133482 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 14, first atom 1051 (107492 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 15, first atom 1009 (135781 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 16, first atom 1011 (111846 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 17, first atom 1068 (108986 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1063 (238613 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 1011 (103306 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 20, first atom 1068 (175913 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 1283 (138621 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1067 (251983 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1067 (196654 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1133 (105715 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1405 (101237 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1068 (149605 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 28, first atom 1048 (123670 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1136 (107215 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1048 (156402 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1233 (118421 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1288 (108272 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1295 (114501 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1127 (124209 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1069 (100675 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1066 (139756 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 1074 (110460 -> 100000)
+Warn: 190 atom(s) hit accel clamp on step 1, first atom 126 (262445 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 2, first atom 1019 (320542 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 3, first atom 474 (174503 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 4, first atom 483 (200968 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 5, first atom 1126 (138491 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 6, first atom 1042 (115424 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 7, first atom 1019 (128892 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 8, first atom 502 (122264 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 9, first atom 1292 (106943 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 10, first atom 1292 (195362 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 11, first atom 1284 (101972 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 1262 (100014 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 13, first atom 1059 (118452 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 1427 (392111 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 15, first atom 1020 (109832 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 1140 (121439 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1427 (262588 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 18, first atom 1022 (174023 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1433 (483145 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 20, first atom 1372 (122579 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1293 (109285 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1293 (114597 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1434 (142042 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1314 (136316 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1427 (119906 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1439 (381936 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1459 (100856 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1459 (112402 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1434 (142055 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1292 (149301 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1433 (112423 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1415 (113075 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1438 (120656 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1428 (102883 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1298 (113649 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1427 (100922 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1294 (100733 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1428 (300128 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1433 (271681 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1433 (476000 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1433 (100916 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1438 (134334 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1292 (115751 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1433 (287334 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1433 (178168 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1439 (121302 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1428 (101970 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1434 (133131 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1428 (103191 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1429 (109277 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1427 (214993 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1430 (103157 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1427 (124434 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1808 (127098 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1795 (103106 -> 100000)
+Warn: 168 atom(s) hit accel clamp on step 7, first atom 59 (509272 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 8, first atom 60 (269229 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 9, first atom 60 (268292 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 10, first atom 60 (240145 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 11, first atom 66 (118227 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 12, first atom 1070 (150817 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 13, first atom 1045 (173980 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 14, first atom 223 (108586 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 15, first atom 1075 (105552 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 16, first atom 1062 (113270 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1132 (122363 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1089 (247892 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 223 (106503 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1838 (109497 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1756 (160733 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1128 (126409 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1398 (114858 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 24, first atom 1092 (117846 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1092 (109165 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1062 (110979 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1067 (141451 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1069 (142909 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 30, first atom 1066 (105722 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1067 (100910 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1398 (116679 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1070 (141099 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1397 (103759 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1069 (150515 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1069 (111276 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1047 (106202 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1065 (175540 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1047 (134789 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1119 (149971 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1135 (103151 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1063 (106612 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1837 (130191 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1048 (136755 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1066 (101741 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1066 (105509 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1056 (101707 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1425 (100342 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1808 (127138 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1795 (103625 -> 100000)
+Warn: 164 atom(s) hit accel clamp on step 7, first atom 59 (568299 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 8, first atom 60 (273383 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 9, first atom 60 (269935 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 10, first atom 60 (145087 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 11, first atom 1007 (242358 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 12, first atom 1049 (111073 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 13, first atom 1045 (170295 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 14, first atom 1070 (163075 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 1132 (175383 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 16, first atom 1203 (187178 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 17, first atom 1090 (248938 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 1008 (106874 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 19, first atom 223 (145373 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1090 (110179 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1403 (158215 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1128 (102285 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1134 (215219 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1287 (105516 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1416 (143524 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1062 (105885 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1282 (101178 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1052 (178398 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1070 (100007 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1205 (150886 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1282 (170831 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1089 (115992 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1263 (119782 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1288 (166566 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1352 (124188 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1204 (194354 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1063 (112252 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1062 (109620 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1422 (110207 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1422 (137828 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1063 (158262 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1401 (104470 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1062 (180425 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1070 (131305 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1087 (105388 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 87, first atom 1070 (155770 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1808 (127090 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1795 (104135 -> 100000)
+Warn: 161 atom(s) hit accel clamp on step 7, first atom 59 (593212 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 8, first atom 60 (267638 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 9, first atom 60 (270197 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 10, first atom 60 (263693 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 11, first atom 1007 (247790 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 12, first atom 1075 (235142 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 1045 (135723 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 14, first atom 1070 (194579 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 15, first atom 1070 (104801 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 16, first atom 1133 (164083 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1062 (100787 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 1075 (136269 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 1090 (100746 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1335 (117391 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 1287 (123138 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1281 (136126 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1129 (149812 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 24, first atom 1062 (226123 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1090 (114139 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1062 (310437 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1062 (139102 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1070 (396644 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1069 (129073 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1069 (176448 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1069 (137304 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1423 (167908 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1263 (122920 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1070 (139553 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1047 (194063 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1350 (173363 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1070 (231653 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1417 (190300 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1405 (119667 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1047 (120158 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1422 (105277 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1047 (108532 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1422 (130368 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1047 (105247 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1837 (111951 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1420 (111789 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1837 (103046 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1068 (105846 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1326 (419479 -> 100000)
+Warn: 182 atom(s) hit accel clamp on step 1, first atom 59 (603489 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 2, first atom 60 (281163 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 3, first atom 60 (267863 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 4, first atom 69 (173426 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 5, first atom 1071 (124557 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 6, first atom 1031 (106877 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 7, first atom 1008 (141213 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 8, first atom 1008 (115528 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 9, first atom 1076 (122308 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 10, first atom 1077 (111411 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 11, first atom 1089 (107923 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 1252 (110260 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 13, first atom 1090 (127131 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 14, first atom 1071 (150766 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1010 (107381 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 16, first atom 1129 (111802 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 17, first atom 1198 (105512 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1011 (168032 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 1222 (120690 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1011 (109993 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1063 (113166 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1070 (126918 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1235 (135501 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1235 (131615 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1023 (113603 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1198 (110606 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1284 (304834 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1284 (210028 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1127 (106869 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1288 (110444 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1033 (125118 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1127 (107649 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1326 (330130 -> 100000)
+Warn: 185 atom(s) hit accel clamp on step 1, first atom 59 (607009 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 2, first atom 60 (281110 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 3, first atom 60 (267858 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 4, first atom 69 (166643 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 5, first atom 1071 (118620 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 6, first atom 1031 (111957 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 7, first atom 1008 (130331 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 8, first atom 1008 (122050 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 9, first atom 1076 (120747 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 10, first atom 135 (104432 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 11, first atom 1071 (102553 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 1252 (122374 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 13, first atom 1308 (101167 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 1048 (100826 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 15, first atom 1011 (118339 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 16, first atom 1201 (204828 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 1011 (216988 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 1139 (105411 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1198 (113470 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 21, first atom 1070 (724754 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 22, first atom 1070 (921903 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1133 (248808 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1070 (109424 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1023 (109621 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1138 (121720 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1135 (160890 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1048 (150612 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1048 (115059 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1068 (101372 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1048 (143561 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1133 (100074 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1133 (114342 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1069 (182538 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1069 (167738 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1066 (138281 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1068 (120615 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1133 (168623 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.51 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5787 / 5916 solvent mols in 350 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40116 ms
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 1065 (2275950 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1065 (111227 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1065 (164074 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1065 (108883 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1067 (114833 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.49 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5915 solvent mols in 360 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41061 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.49 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5915 solvent mols in 442 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40845 ms
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1072 (105290 -> 100000)
+Warn: 190 atom(s) hit accel clamp on step 1, first atom 126 (262493 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 2, first atom 1017 (314262 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 3, first atom 472 (174447 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 4, first atom 481 (120855 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 5, first atom 1176 (122409 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 6, first atom 1057 (183558 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 7, first atom 1019 (194748 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 8, first atom 1271 (153466 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 9, first atom 1290 (119233 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 10, first atom 1290 (181273 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 11, first atom 1282 (100196 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 1260 (154256 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 13, first atom 472 (113369 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 14, first atom 1427 (100240 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 1019 (575577 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 16, first atom 1017 (103505 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 17, first atom 1316 (167147 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1316 (118652 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 1354 (122261 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 20, first atom 1409 (141442 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 1018 (119112 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1291 (118088 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1427 (136336 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1312 (117918 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 25, first atom 1427 (731777 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1316 (116265 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1428 (249572 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1419 (119098 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1415 (101321 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1428 (131769 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1433 (214496 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1436 (188951 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1439 (200849 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1428 (110647 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1427 (193954 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1433 (140006 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1431 (493245 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1428 (123319 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1433 (142848 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1427 (140578 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1427 (200205 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1434 (765701 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1434 (120873 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1437 (240433 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1436 (142458 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1437 (133574 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1328 (188497 -> 100000)
+Warn: 182 atom(s) hit accel clamp on step 1, first atom 59 (600534 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 2, first atom 60 (282481 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 3, first atom 60 (267598 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 4, first atom 69 (171618 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 5, first atom 1073 (115539 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 6, first atom 829 (180089 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 829 (135116 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 8, first atom 1083 (119096 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 9, first atom 1078 (135313 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 10, first atom 1079 (138248 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 11, first atom 1092 (104958 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 12, first atom 1254 (146619 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 13, first atom 1092 (203630 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 14, first atom 1011 (131832 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 15, first atom 1012 (559782 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 1010 (112798 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1132 (306977 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 18, first atom 1056 (153043 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1056 (146922 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 1132 (174720 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1065 (101485 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1285 (131838 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1403 (105659 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1051 (105409 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1050 (116087 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1759 (108866 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1011 (109155 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1068 (100561 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1403 (121631 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1054 (112239 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1285 (117307 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1094 (233071 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1050 (249796 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1206 (112539 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1050 (110397 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1206 (129733 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1137 (152146 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1844 (124810 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.51 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5787 / 5916 solvent mols in 336 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41076 ms
+Warn: 16 atom(s) hit accel clamp on step 0, first atom 1076 (4219310 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1076 (762478 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1076 (108320 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1076 (117802 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1804 (119894 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1817 (123353 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.49 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5915 solvent mols in 341 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39331 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.49 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5915 solvent mols in 384 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41660 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1347 (206876 -> 100000)
+Warn: 194 atom(s) hit accel clamp on step 1, first atom 59 (605021 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 2, first atom 60 (281679 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 3, first atom 60 (245470 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 4, first atom 60 (190251 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 5, first atom 89 (123211 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 6, first atom 1042 (110127 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 7, first atom 1021 (158102 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 8, first atom 1082 (282009 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 9, first atom 1082 (722462 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 10, first atom 1082 (359063 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 11, first atom 81 (173513 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 12, first atom 1083 (709035 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 13, first atom 140 (112019 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 14, first atom 1020 (115731 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 15, first atom 1021 (490833 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 16, first atom 1142 (220175 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 1022 (106849 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 1022 (168897 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 19, first atom 1318 (261388 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1022 (117484 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 1085 (215331 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1202 (102029 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1087 (1460770 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 1082 (211925 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 87 (119954 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 26, first atom 1087 (406780 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1913 (113082 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1082 (111578 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 29, first atom 1082 (110178 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1088 (111254 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1102 (627939 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1102 (173623 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1085 (110802 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1084 (168344 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1138 (117761 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1076 (108905 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1083 (304208 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1087 (134174 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1082 (318169 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1082 (143035 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1075 (138210 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1082 (116292 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1092 (124470 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1077 (102081 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1084 (153380 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1077 (118361 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 54, first atom 1087 (138576 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1087 (163305 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1087 (103471 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1082 (167269 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1075 (119037 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1082 (172970 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1090 (118170 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1073 (125239 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1082 (115734 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1073 (169139 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1073 (111690 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1075 (114033 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1157 (176126 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1207 (229678 -> 100000)
+Warn: 174 atom(s) hit accel clamp on step 8, first atom 59 (534869 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 9, first atom 60 (263860 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 10, first atom 60 (272634 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 11, first atom 60 (280010 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 12, first atom 1023 (293855 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 13, first atom 74 (100130 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 14, first atom 74 (131385 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 15, first atom 74 (100636 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 16, first atom 74 (147905 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 17, first atom 1085 (128153 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 18, first atom 1077 (114826 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 1074 (107537 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 20, first atom 1067 (159101 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 21, first atom 1031 (303326 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 22, first atom 1031 (125768 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 23, first atom 1082 (150999 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1077 (104995 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 25, first atom 74 (127261 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 26, first atom 74 (113284 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1321 (197159 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 28, first atom 1048 (307878 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 29, first atom 1048 (225417 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1082 (111007 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 31, first atom 1024 (102948 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1079 (497606 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 1062 (144678 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 72 (177200 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 72 (122888 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1077 (117381 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1065 (114846 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 38, first atom 1082 (123911 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1071 (101887 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1084 (151362 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 41, first atom 1070 (106828 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1082 (159509 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1082 (116864 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 44, first atom 1067 (174471 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1067 (210969 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1070 (131711 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 47, first atom 1070 (162326 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1085 (326981 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1085 (152338 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1086 (103417 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1093 (129655 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1089 (104847 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1089 (135975 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1088 (206258 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1071 (121291 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1087 (134163 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1084 (106947 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1085 (382059 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1089 (264888 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1076 (116928 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1089 (162002 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1076 (140902 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1085 (141280 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1089 (104272 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1076 (118968 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1076 (185914 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1089 (155016 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1094 (127125 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1095 (146621 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1095 (305333 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1079 (156957 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1077 (110354 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1077 (138892 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1263 (109588 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1820 (113790 -> 100000)
+Warn: 184 atom(s) hit accel clamp on step 7, first atom 59 (552629 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 8, first atom 60 (262465 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 9, first atom 60 (269548 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 10, first atom 60 (299726 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 11, first atom 66 (134669 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 12, first atom 57 (153901 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 13, first atom 1052 (161374 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 14, first atom 1056 (122809 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 15, first atom 1140 (238036 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 16, first atom 1058 (111977 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 17, first atom 1092 (600894 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 18, first atom 1092 (992330 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 19, first atom 1054 (126867 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 1075 (199129 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 21, first atom 1075 (111545 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 22, first atom 1080 (185705 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 23, first atom 1070 (190339 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 1070 (169930 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 1075 (118473 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1077 (132586 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 27, first atom 1058 (100905 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 28, first atom 1014 (107997 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 29, first atom 88 (133682 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 84 (131687 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1073 (106478 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 32, first atom 1071 (119780 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 33, first atom 1074 (171722 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1054 (101301 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1082 (145106 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1054 (212697 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1082 (120417 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1078 (176122 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1078 (104923 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1082 (125820 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1669 (227419 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1075 (133814 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1268 (152624 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1082 (153042 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1082 (231721 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1101 (107492 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1070 (158508 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1101 (154131 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 52, first atom 1069 (104752 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1101 (106602 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1083 (257125 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1082 (143402 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1069 (209743 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1069 (144390 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1078 (242885 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1097 (112388 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1081 (103298 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1070 (131608 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1263 (109698 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1820 (115310 -> 100000)
+Warn: 178 atom(s) hit accel clamp on step 8, first atom 59 (580193 -> 100000)
+Warn: 84 atom(s) hit accel clamp on step 9, first atom 60 (265387 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 10, first atom 60 (270776 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 11, first atom 60 (129953 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 12, first atom 1016 (307019 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 13, first atom 1016 (113373 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 14, first atom 1052 (110693 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 15, first atom 74 (135500 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 16, first atom 1078 (201177 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 17, first atom 1081 (354499 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 18, first atom 1083 (170987 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 19, first atom 1075 (121405 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 20, first atom 1087 (116380 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 21, first atom 1075 (291461 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 22, first atom 77 (131821 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 23, first atom 1099 (101249 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 24, first atom 1069 (330762 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 1079 (249634 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 26, first atom 1069 (109525 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1076 (120366 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 28, first atom 1076 (102487 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 29, first atom 1015 (173085 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 30, first atom 1069 (104800 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1078 (102061 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1082 (500549 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1081 (330808 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1081 (161457 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1082 (293973 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1078 (971663 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1069 (172691 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1073 (112124 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1078 (144274 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 40, first atom 1077 (173608 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1425 (163077 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1087 (119161 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1078 (529196 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1015 (239641 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1218 (101798 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1069 (123033 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1209 (122963 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1085 (117770 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1405 (104486 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1072 (148944 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1094 (168577 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1079 (191842 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1078 (539517 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1078 (220641 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.50 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5787 / 5916 solvent mols in 347 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39165 ms
+Warn: 17 atom(s) hit accel clamp on step 0, first atom 1076 (128602 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1263 (115027 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1363 (103444 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1804 (119414 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1200 (111448 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 15, first atom 1804 (104128 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.47 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5915 solvent mols in 354 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40548 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.47 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5790 / 5915 solvent mols in 340 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40781 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1267 (233554 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1812 (128341 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1812 (130816 -> 100000)
+Warn: 190 atom(s) hit accel clamp on step 8, first atom 59 (586484 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 9, first atom 60 (255428 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 10, first atom 60 (273505 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 11, first atom 60 (289453 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 12, first atom 1016 (184350 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 13, first atom 57 (154630 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 14, first atom 489 (103579 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 15, first atom 1080 (181974 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 16, first atom 1081 (106837 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 17, first atom 1084 (424704 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 18, first atom 1084 (103999 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 19, first atom 1097 (197122 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 20, first atom 1097 (138225 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 1082 (146295 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 22, first atom 77 (143867 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 23, first atom 1073 (153708 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 24, first atom 1016 (124390 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 25, first atom 74 (133455 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 26, first atom 1018 (119723 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1085 (2124652 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 28, first atom 1085 (2124905 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1086 (110104 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1085 (223730 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1085 (158722 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 32, first atom 1084 (120474 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1070 (112733 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1484 (108022 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1083 (120265 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1018 (116011 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1079 (183666 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1056 (106175 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1213 (133764 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1080 (134662 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1066 (156763 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1072 (158783 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1142 (180011 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 46, first atom 1072 (101868 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 47, first atom 1080 (115097 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1080 (152892 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1078 (115484 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 54, first atom 1085 (212105 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1082 (162355 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1073 (116371 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1085 (101815 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1056 (109210 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1056 (103923 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1366 (117020 -> 100000)
+Warn: 193 atom(s) hit accel clamp on step 1, first atom 59 (604907 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 2, first atom 60 (281797 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 3, first atom 60 (265114 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 4, first atom 60 (189464 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 5, first atom 89 (130147 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 6, first atom 1040 (107879 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 7, first atom 1019 (147681 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 8, first atom 1017 (110258 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 9, first atom 81 (166026 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 10, first atom 1088 (185183 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 11, first atom 81 (173676 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 1081 (581462 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 13, first atom 1020 (103544 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 1085 (172689 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 15, first atom 1017 (121768 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 1021 (103040 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1029 (159228 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 18, first atom 1081 (127366 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 19, first atom 1030 (124514 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 20, first atom 1030 (162666 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 88 (265310 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 22, first atom 88 (230005 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1084 (122075 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1086 (569777 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1040 (142326 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 26, first atom 88 (155728 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1084 (145939 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1082 (242523 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1057 (113406 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1082 (278870 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1082 (148729 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1084 (135711 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1105 (150143 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1084 (110109 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1074 (230809 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1084 (100490 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 37, first atom 1074 (214110 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1084 (198787 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1084 (365199 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1073 (110367 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 41, first atom 1081 (127673 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 90 (131462 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1087 (1048810 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1073 (226387 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1117 (101132 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1073 (109426 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1081 (110934 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1091 (138955 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1073 (112683 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 51, first atom 1072 (128229 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1081 (149106 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1081 (202419 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1090 (120238 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 55, first atom 1073 (221271 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1081 (182324 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1081 (105691 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1075 (125498 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1076 (147881 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1085 (140210 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1201 (193565 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1200 (124717 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 108, first atom 1087 (144838 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 1084 (150232 -> 100000)
+Warn: 198 atom(s) hit accel clamp on step 1, first atom 135 (314172 -> 100000)
+Warn: 84 atom(s) hit accel clamp on step 2, first atom 1028 (322155 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 3, first atom 483 (174129 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 4, first atom 492 (251588 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 5, first atom 1159 (186424 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 6, first atom 1051 (124665 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 1030 (168446 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 8, first atom 512 (138880 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 9, first atom 1308 (128374 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 10, first atom 1083 (106053 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 11, first atom 1226 (197602 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 1146 (108383 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 13, first atom 1334 (115638 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 14, first atom 1354 (106585 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 15, first atom 1030 (819539 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 16, first atom 1028 (122797 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 17, first atom 1159 (115548 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 18, first atom 1030 (102709 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 19, first atom 1248 (107874 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 1224 (119996 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 21, first atom 1309 (117886 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1309 (120571 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1452 (141519 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1332 (111998 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1311 (108497 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1373 (168694 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1354 (101526 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1452 (116050 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1354 (118615 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1373 (149562 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1308 (106183 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1450 (114319 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1447 (115967 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1446 (138270 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1262 (102249 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1449 (113155 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1449 (104090 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1454 (117962 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1308 (153556 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1374 (116566 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1453 (267375 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1314 (100636 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1267 (233484 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1812 (123675 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1812 (122545 -> 100000)
+Warn: 187 atom(s) hit accel clamp on step 8, first atom 59 (581998 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 9, first atom 60 (259212 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 10, first atom 60 (273223 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 11, first atom 60 (299203 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 12, first atom 66 (107760 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 13, first atom 57 (137666 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 14, first atom 489 (102499 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 15, first atom 1081 (1064003 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 16, first atom 1080 (101706 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 17, first atom 1082 (157287 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 18, first atom 1097 (158470 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 19, first atom 1084 (629160 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 20, first atom 1084 (102575 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 21, first atom 1080 (112413 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 22, first atom 1080 (117637 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 23, first atom 1084 (431580 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 24, first atom 1065 (131754 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 25, first atom 1072 (140582 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 26, first atom 1072 (210948 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1141 (216859 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 28, first atom 1086 (110024 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1102 (102155 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1523 (114893 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1085 (155353 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 32, first atom 1081 (127192 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1084 (114605 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 1056 (121961 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1081 (100827 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1085 (126845 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1085 (215877 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1086 (126772 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1056 (178394 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1081 (369051 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 41, first atom 1073 (211353 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 42, first atom 1073 (183685 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 43, first atom 1081 (144753 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 44, first atom 1085 (102861 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 46, first atom 1073 (229593 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1086 (133106 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1095 (103070 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1052 (116636 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1073 (121825 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1886 (121255 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1067 (140391 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1854 (100389 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1087 (140721 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1067 (115494 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1081 (199736 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1238 (343896 -> 100000)
+Warn: 213 atom(s) hit accel clamp on step 1, first atom 59 (606903 -> 100000)
+Warn: 87 atom(s) hit accel clamp on step 2, first atom 60 (281022 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 3, first atom 60 (253768 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 4, first atom 60 (194779 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 5, first atom 1083 (2125556 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 6, first atom 100 (116070 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 7, first atom 1021 (196252 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 8, first atom 502 (113043 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 9, first atom 81 (368946 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 10, first atom 81 (322712 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 11, first atom 1072 (194567 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 1083 (699500 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 13, first atom 1020 (111909 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 14, first atom 1083 (160482 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 15, first atom 1019 (114694 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 16, first atom 1019 (180571 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 17, first atom 1068 (103069 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 18, first atom 1021 (113132 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 19, first atom 1088 (187194 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1149 (138091 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 21, first atom 88 (152200 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 22, first atom 1088 (1806910 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 23, first atom 1119 (1131904 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 1081 (146176 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 25, first atom 81 (167645 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 26, first atom 1075 (138787 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 27, first atom 1063 (118549 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1119 (1128277 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1089 (100998 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1081 (130732 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1084 (114103 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1132 (224116 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 1088 (157103 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1433 (175661 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1088 (106341 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1071 (420892 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1071 (107989 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1073 (123230 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1073 (104557 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1439 (140109 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1083 (112115 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1108 (109064 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 43, first atom 1078 (106675 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1075 (166553 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 45, first atom 1088 (301370 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1083 (134457 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 48, first atom 1075 (115335 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1089 (138806 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1088 (141418 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1083 (454973 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1089 (107679 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1069 (109851 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1078 (113914 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1078 (270097 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1084 (105392 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1068 (106948 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1439 (102598 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1435 (157683 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1439 (101819 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1084 (100216 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1084 (124680 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1439 (155930 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1088 (133065 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1091 (105417 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1068 (151346 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1335 (279967 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1498 (157227 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1369 (192740 -> 100000)
+Warn: 195 atom(s) hit accel clamp on step 7, first atom 59 (550249 -> 100000)
+Warn: 83 atom(s) hit accel clamp on step 8, first atom 60 (258908 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 9, first atom 60 (271834 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 10, first atom 60 (302915 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 11, first atom 1022 (224860 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 12, first atom 57 (146050 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 13, first atom 1056 (142017 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 14, first atom 1060 (115243 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 15, first atom 74 (103331 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 16, first atom 81 (110158 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 17, first atom 1071 (180857 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 18, first atom 1045 (104016 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1087 (102787 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 20, first atom 1082 (262543 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 21, first atom 1082 (518595 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 22, first atom 75 (116796 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 23, first atom 1074 (109211 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 1082 (112155 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 1074 (137845 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 1062 (106656 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 27, first atom 1026 (109429 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 28, first atom 1087 (198728 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1029 (120709 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1080 (144588 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1087 (228779 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 32, first atom 1080 (143162 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1097 (280045 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 34, first atom 1077 (511847 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1084 (115225 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1082 (2112941 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 37, first atom 1082 (2076846 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1082 (588951 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1075 (166474 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 40, first atom 1082 (2018670 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1082 (184948 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1064 (385973 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 43, first atom 1043 (112210 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 44, first atom 1064 (197716 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 45, first atom 1064 (111350 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1074 (225548 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1075 (116177 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1097 (128445 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1075 (317816 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 51, first atom 1075 (416076 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1074 (108059 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1091 (185817 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 54, first atom 1074 (179221 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 55, first atom 1074 (196217 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1074 (725133 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1074 (537321 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1106 (124285 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1082 (147806 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1089 (174168 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1077 (116434 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1083 (304433 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1082 (101636 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1082 (521021 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1082 (193276 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1074 (105829 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1075 (177904 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1074 (140208 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1074 (106489 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1074 (262384 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1074 (150716 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1074 (109812 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1082 (164638 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 143, first atom 1082 (117051 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 153, first atom 1082 (104112 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.51 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5789 / 5916 solvent mols in 339 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39562 ms
+Warn: 16 atom(s) hit accel clamp on step 0, first atom 1073 (2037016 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1075 (157411 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1795 (112948 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.49 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5792 / 5915 solvent mols in 352 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41046 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.48 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5792 / 5915 solvent mols in 339 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40996 ms
+Warn: 19 atom(s) hit accel clamp on step 0, first atom 1075 (133173 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1077 (101653 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1812 (154943 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1812 (215158 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1825 (101630 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.49 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5792 / 5915 solvent mols in 357 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39612 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.49 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5792 / 5915 solvent mols in 367 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41534 ms
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1364 (750583 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1364 (159882 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1364 (244698 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1364 (105201 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1332 (198416 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1364 (156195 -> 100000)
+Warn: 189 atom(s) hit accel clamp on step 6, first atom 59 (591480 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 7, first atom 60 (259558 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 8, first atom 60 (272708 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 9, first atom 60 (322045 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 10, first atom 1079 (1612860 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 11, first atom 57 (154180 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 12, first atom 1053 (178520 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 13, first atom 1080 (685410 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 14, first atom 1071 (100444 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 15, first atom 81 (196807 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 16, first atom 81 (167787 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 17, first atom 1061 (113112 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 18, first atom 1090 (591314 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 1342 (178967 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 20, first atom 1201 (164471 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 21, first atom 1072 (221856 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1064 (102692 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 23, first atom 1064 (140810 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 24, first atom 1069 (285700 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 25, first atom 1071 (514879 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 26, first atom 1068 (105855 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1064 (100033 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 28, first atom 1069 (100654 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1082 (123144 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1084 (112512 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1084 (549296 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1084 (298445 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1080 (110559 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1078 (169344 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1080 (106172 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1084 (108400 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 37, first atom 1065 (141858 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 38, first atom 1065 (181818 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1079 (543695 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 40, first atom 1079 (202092 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1080 (103848 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1072 (127205 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1071 (135222 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1079 (404067 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1084 (115264 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1084 (113383 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1135 (106523 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1088 (271296 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1099 (371452 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 55, first atom 1074 (151384 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1087 (121885 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1084 (188598 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1084 (462243 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1079 (101641 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1084 (121632 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1080 (237537 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1080 (212333 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1073 (194501 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1072 (109944 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1084 (158056 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1097 (100624 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1084 (147075 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1085 (167604 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1085 (118091 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1085 (224176 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1085 (105832 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1084 (101602 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1333 (198706 -> 100000)
+Warn: 197 atom(s) hit accel clamp on step 1, first atom 59 (607007 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 2, first atom 60 (280257 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 3, first atom 60 (266166 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 4, first atom 60 (203556 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 5, first atom 89 (108411 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 6, first atom 1037 (109436 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 7, first atom 1016 (158369 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 8, first atom 1014 (117180 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 81 (137414 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 10, first atom 1078 (109865 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 11, first atom 81 (173286 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 1078 (447983 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 13, first atom 78 (139637 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 14, first atom 1075 (113446 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 15, first atom 1016 (156751 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 78 (179770 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 1017 (216142 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 18, first atom 1017 (381290 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 19, first atom 1075 (106830 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1083 (703284 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 1017 (167036 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1079 (114019 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1083 (537123 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 84 (106035 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 25, first atom 1076 (140483 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 78 (142442 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1078 (146119 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 28, first atom 72 (163556 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 29, first atom 1080 (628547 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 30, first atom 87 (177436 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 31, first atom 1063 (121197 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1079 (190524 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1067 (104888 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1088 (100061 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1075 (104858 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1081 (307074 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 37, first atom 1081 (455023 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1075 (158352 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1075 (145597 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1078 (100697 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1080 (121726 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1080 (121061 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1148 (132331 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1083 (147173 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1079 (101800 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 46, first atom 1073 (110010 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1084 (2112654 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1084 (156888 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 50, first atom 1070 (107015 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1084 (211090 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1071 (164691 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1071 (132327 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1084 (105276 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1070 (534041 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1199 (136140 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1070 (159056 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1900 (132213 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1086 (188484 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1086 (100352 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 93, first atom 1088 (258893 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1408 (146424 -> 100000)
+Warn: 174 atom(s) hit accel clamp on step 7, first atom 59 (604561 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 8, first atom 60 (251791 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 9, first atom 60 (273940 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 10, first atom 60 (296541 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 11, first atom 1081 (541557 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 12, first atom 44 (117917 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 13, first atom 1055 (167754 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 14, first atom 1059 (122066 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 15, first atom 1096 (121882 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 1085 (135509 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 17, first atom 1070 (150976 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1100 (112997 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1070 (117869 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 20, first atom 1063 (120890 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1081 (100239 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 22, first atom 1074 (145871 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 1074 (108604 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1085 (120767 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 25, first atom 1066 (159893 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1085 (351254 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1085 (114621 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1060 (117738 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 29, first atom 1086 (158577 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1086 (150059 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1079 (130857 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1071 (178782 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1215 (132175 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1076 (164025 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1076 (139640 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1078 (105998 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1819 (104663 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1076 (101114 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1081 (147655 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1074 (114238 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1074 (108518 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1087 (142916 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1077 (165580 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1066 (127760 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1084 (259999 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1084 (153188 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1066 (176003 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1074 (141660 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1074 (104854 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1081 (120733 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1082 (199801 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1084 (333299 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1084 (249479 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1084 (171508 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1084 (107833 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1084 (111848 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1073 (110909 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1067 (151462 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1068 (146412 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1068 (111503 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1456 (100950 -> 100000)
+Warn: 209 atom(s) hit accel clamp on step 1, first atom 59 (605169 -> 100000)
+Warn: 81 atom(s) hit accel clamp on step 2, first atom 60 (282119 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 3, first atom 60 (264031 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 4, first atom 60 (185494 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 5, first atom 89 (116759 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 6, first atom 1037 (108479 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 7, first atom 1016 (159034 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 8, first atom 1014 (132079 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 81 (284752 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 10, first atom 81 (177730 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 11, first atom 81 (172313 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 1078 (325998 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 13, first atom 1026 (100159 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 1054 (103908 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 1016 (202236 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 1078 (105626 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 1017 (123957 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 1017 (231075 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 19, first atom 1078 (183422 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 74 (119737 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 1081 (112556 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1083 (415167 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1080 (128339 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 24, first atom 1077 (102960 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1037 (118311 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1070 (454568 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 1079 (520942 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1077 (312298 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 60 (139320 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1077 (178638 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1050 (103520 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1138 (203986 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1077 (324119 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1081 (178095 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1237 (217573 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1085 (156470 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 37, first atom 1078 (117538 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1079 (130946 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1075 (156303 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1079 (1135684 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1081 (405334 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 1070 (121226 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1078 (101734 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1078 (125653 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1078 (113640 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1078 (235336 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1089 (101946 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1078 (127470 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1290 (137140 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1078 (289034 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1078 (334360 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1050 (129093 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1078 (176078 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1093 (101438 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1088 (105967 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1078 (123508 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1081 (117596 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 60, first atom 1072 (105495 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1072 (116164 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1084 (176157 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1084 (130573 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1078 (286902 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1078 (231045 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1078 (180359 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1078 (188612 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1078 (108735 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1084 (108457 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.52 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5791 / 5916 solvent mols in 344 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40273 ms
+Warn: 17 atom(s) hit accel clamp on step 0, first atom 1072 (545665 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1074 (548554 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1074 (258805 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1074 (240170 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.50 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5794 / 5916 solvent mols in 336 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41698 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.50 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5794 / 5916 solvent mols in 335 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41009 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1357 (145104 -> 100000)
+Warn: 197 atom(s) hit accel clamp on step 1, first atom 59 (603362 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 2, first atom 60 (280905 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 3, first atom 60 (264194 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 4, first atom 60 (193101 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 5, first atom 89 (103981 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 6, first atom 1053 (176443 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 7, first atom 1015 (142980 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 8, first atom 1085 (184208 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 9, first atom 81 (180065 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 10, first atom 81 (155101 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 11, first atom 81 (146262 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 1073 (158042 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 13, first atom 1055 (157956 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 1080 (264280 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 1013 (119550 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 16, first atom 1205 (205405 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1086 (526833 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1080 (130964 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 1081 (131411 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1081 (108920 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 21, first atom 88 (103525 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1081 (1750445 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1081 (139362 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 1074 (180887 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 25, first atom 74 (102200 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 26, first atom 1075 (366786 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1077 (373524 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1085 (100394 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1079 (107070 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1073 (109780 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1235 (116983 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1075 (1496846 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1075 (196668 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1075 (195485 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1069 (112684 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1077 (119091 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1077 (220958 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1082 (209411 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1076 (542130 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 40, first atom 1069 (198419 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1083 (607960 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1078 (102748 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1076 (207107 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1076 (169240 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1077 (108967 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1085 (108986 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1085 (123045 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1081 (152123 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1080 (120979 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1081 (254649 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1079 (102832 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 57, first atom 1077 (122146 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1079 (197056 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1069 (227359 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1077 (197985 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1197 (125002 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1195 (121964 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1194 (106849 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1081 (100926 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1328 (103082 -> 100000)
+Warn: 187 atom(s) hit accel clamp on step 1, first atom 59 (611567 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 2, first atom 60 (281584 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 3, first atom 60 (266322 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 4, first atom 60 (189848 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 5, first atom 89 (105020 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 6, first atom 1036 (101574 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 7, first atom 1015 (149712 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 8, first atom 1085 (165875 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 9, first atom 81 (130641 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 10, first atom 1076 (103094 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 11, first atom 84 (101523 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 12, first atom 1073 (121049 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 1055 (133810 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 14, first atom 1014 (123614 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 15, first atom 1013 (109419 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1100 (123833 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 1080 (128560 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1076 (109718 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 1069 (110964 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1081 (137421 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 1079 (921439 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1075 (124868 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 23, first atom 1079 (129226 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 1079 (138458 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1081 (242936 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1075 (531605 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1016 (102855 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 28, first atom 1081 (397834 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1077 (289721 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1077 (117712 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 31, first atom 79 (119328 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 32, first atom 1075 (136721 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1235 (128937 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 73 (118826 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1069 (368583 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1077 (114643 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1091 (254208 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1069 (217134 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 39, first atom 1069 (168739 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1112 (106326 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1127 (100316 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 85 (148427 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1076 (106806 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1076 (266638 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1076 (704649 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1076 (281714 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1076 (192265 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1077 (187879 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1082 (706655 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1081 (138693 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1087 (126117 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1084 (239853 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1112 (190671 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1084 (307647 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1112 (182710 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1100 (113949 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1086 (149881 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1095 (102011 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1086 (253991 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1086 (1605404 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1086 (272898 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1087 (136018 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1087 (231851 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1091 (418898 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1091 (154954 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1100 (203641 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1077 (106350 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1100 (206830 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1077 (145271 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1086 (116558 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1087 (113933 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1086 (121545 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 104, first atom 1087 (111976 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1429 (124209 -> 100000)
+Warn: 200 atom(s) hit accel clamp on step 1, first atom 59 (608485 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 2, first atom 60 (282469 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 3, first atom 60 (233262 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 4, first atom 60 (174614 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 5, first atom 89 (110715 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 6, first atom 1036 (105112 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 7, first atom 1013 (102097 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 8, first atom 1076 (128101 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 9, first atom 81 (108834 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 10, first atom 144 (114461 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 11, first atom 81 (115580 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 12, first atom 1073 (183400 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 1055 (182511 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 1014 (104365 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 1013 (109798 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1134 (120326 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 17, first atom 1069 (118615 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 1076 (184859 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 1076 (300043 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 1057 (139853 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 21, first atom 1081 (189332 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1076 (433681 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1081 (746641 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1081 (275697 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 25, first atom 1014 (114149 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1312 (113770 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1057 (120931 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 77 (147587 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1077 (198001 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1077 (212546 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1077 (208407 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1077 (196956 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1077 (104157 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1607 (149664 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1077 (107909 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1053 (112009 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1077 (137891 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1076 (113267 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1081 (165338 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1100 (287096 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1076 (107535 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1077 (233054 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1077 (101106 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1100 (129122 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1077 (281084 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1068 (115833 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1077 (149938 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1071 (305346 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1080 (101198 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1080 (135844 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1077 (146894 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1077 (127750 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1068 (114562 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1357 (124883 -> 100000)
+Warn: 198 atom(s) hit accel clamp on step 1, first atom 59 (603856 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 2, first atom 60 (282087 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 3, first atom 60 (261343 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 4, first atom 60 (181389 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 5, first atom 89 (120272 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 6, first atom 1036 (110613 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 7, first atom 1015 (156932 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 8, first atom 1085 (188995 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 9, first atom 81 (214140 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 10, first atom 81 (159238 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 11, first atom 81 (129729 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 12, first atom 1073 (135536 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 13, first atom 1076 (882724 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 1014 (158136 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 15, first atom 1015 (904459 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 1081 (107304 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1086 (280852 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1015 (108113 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1076 (264397 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1079 (198092 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 1015 (100713 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1075 (105259 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 60 (110354 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 24, first atom 1077 (108236 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 72 (180739 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 26, first atom 1014 (118076 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1057 (114605 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1081 (167725 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 72 (112264 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1081 (272671 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 31, first atom 1070 (136201 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1077 (102840 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 33, first atom 1075 (952961 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1077 (266965 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1081 (161865 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1079 (126169 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1076 (226904 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1076 (965988 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 39, first atom 1074 (145989 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1081 (198359 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1078 (126698 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1078 (183167 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1077 (142823 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1068 (121668 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1081 (127206 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1068 (506590 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1068 (136251 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1068 (219663 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1068 (151002 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1084 (112162 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1082 (178653 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1081 (428560 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 54, first atom 1070 (220115 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1080 (177832 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 56, first atom 1070 (523313 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1070 (232075 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1068 (121357 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1070 (206198 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1070 (162337 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1069 (338306 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1070 (147009 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1077 (112253 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1068 (127797 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1077 (129502 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1068 (185240 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1068 (154331 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1068 (135501 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1328 (124763 -> 100000)
+Warn: 186 atom(s) hit accel clamp on step 1, first atom 59 (606983 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 2, first atom 60 (279445 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 3, first atom 60 (263032 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 4, first atom 60 (207981 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 5, first atom 89 (109829 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 6, first atom 93 (125557 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 7, first atom 1013 (116642 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 8, first atom 1085 (173349 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 9, first atom 81 (105665 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 10, first atom 1077 (200625 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 11, first atom 81 (120691 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 12, first atom 1073 (143958 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 13, first atom 1076 (337069 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 14, first atom 1096 (223321 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 15, first atom 1076 (128494 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 16, first atom 1069 (100473 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 1087 (103826 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 18, first atom 1074 (157401 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1100 (108996 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1081 (341257 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 1075 (311152 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1015 (215005 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1015 (180293 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1308 (167580 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1036 (102288 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 26, first atom 1068 (165456 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1081 (338256 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1081 (381515 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1077 (128138 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1081 (129129 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1053 (103752 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1112 (105073 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1112 (119394 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1670 (102468 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1077 (163983 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1100 (195840 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1076 (124243 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1069 (151136 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1077 (151978 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1077 (105341 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1100 (201049 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1077 (187191 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1081 (114764 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1077 (162604 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1100 (135368 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1081 (106569 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1101 (107522 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1100 (101514 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1100 (147363 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1081 (100074 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1077 (312749 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1014 (233477 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1077 (122333 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1092 (553636 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1091 (145034 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1091 (100457 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1091 (104186 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1091 (146514 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1087 (105921 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 74, first atom 1076 (108486 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1086 (100022 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.52 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5791 / 5916 solvent mols in 345 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41821 ms
+Warn: 17 atom(s) hit accel clamp on step 0, first atom 1070 (183740 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1072 (112315 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1355 (140621 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.50 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5794 / 5916 solvent mols in 338 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40151 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.50 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5794 / 5916 solvent mols in 355 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41712 ms
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1489 (289965 -> 100000)
+Warn: 185 atom(s) hit accel clamp on step 1, first atom 59 (608931 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 2, first atom 60 (281267 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 3, first atom 60 (266000 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 4, first atom 60 (182062 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 5, first atom 89 (106832 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 6, first atom 1034 (109313 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 7, first atom 1013 (174679 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 8, first atom 1049 (122024 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 9, first atom 1074 (731451 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 10, first atom 1066 (123907 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 11, first atom 81 (173645 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 12, first atom 1075 (596987 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 1075 (187590 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 14, first atom 1012 (105856 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 1013 (1872277 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 16, first atom 1013 (203961 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 17, first atom 1060 (132313 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1065 (106664 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1066 (456974 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 20, first atom 1066 (129509 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 21, first atom 1012 (190011 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1077 (694425 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1203 (118562 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1053 (162416 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1075 (428822 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1075 (219854 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1074 (156277 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1074 (211781 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1079 (296452 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1079 (103329 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1074 (2089771 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1074 (221918 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 33, first atom 1051 (186318 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 78 (133571 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1064 (116305 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1076 (575572 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1077 (159784 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1094 (104615 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1079 (119087 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1075 (107854 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1075 (250290 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 49, first atom 1051 (103326 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1083 (107237 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1068 (159283 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1068 (101578 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1075 (163215 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1075 (146649 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1066 (103247 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1074 (147529 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1067 (214597 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1074 (195560 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 79, first atom 1066 (105692 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 81, first atom 1066 (149055 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1067 (167164 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1074 (117368 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1489 (288455 -> 100000)
+Warn: 184 atom(s) hit accel clamp on step 1, first atom 59 (604635 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 2, first atom 60 (282182 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 3, first atom 60 (265970 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 4, first atom 60 (181806 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 5, first atom 89 (134707 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 6, first atom 1034 (106218 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 7, first atom 1013 (142172 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 8, first atom 1074 (127690 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 9, first atom 1074 (238379 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 10, first atom 1081 (170928 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 11, first atom 81 (124558 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 1074 (346495 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 13, first atom 1014 (138517 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 14, first atom 1012 (134662 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 15, first atom 1013 (1943919 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 16, first atom 1014 (152481 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 73 (101248 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 1078 (143498 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1074 (120121 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1067 (132154 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 1012 (114595 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1012 (104591 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1310 (236443 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1051 (106775 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1075 (161374 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1079 (779865 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1011 (153049 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 28, first atom 77 (125850 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1079 (834939 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1071 (116504 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1079 (154627 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1051 (194202 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1084 (408124 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1076 (106163 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1051 (112647 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1197 (100470 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1071 (153804 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1071 (116035 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1074 (120390 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1075 (114660 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1074 (2095595 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1074 (886757 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1075 (477135 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 45, first atom 1066 (189022 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1069 (448825 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1075 (319966 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1075 (109940 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1079 (480606 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1079 (158015 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1055 (123597 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 52, first atom 1075 (157824 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1075 (112349 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1075 (103012 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 55, first atom 1068 (187616 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1100 (117214 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1100 (116860 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1079 (112968 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1078 (173780 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1079 (139142 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1078 (263273 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1090 (100271 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1078 (151370 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.52 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5791 / 5916 solvent mols in 342 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39867 ms
+Warn: 13 atom(s) hit accel clamp on step 0, first atom 1068 (104036 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1070 (1187507 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1070 (275174 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1070 (149152 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1070 (161481 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 7, first atom 1070 (160473 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.50 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5794 / 5916 solvent mols in 337 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40078 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.50 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5794 / 5916 solvent mols in 365 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42329 ms
+Warn: 13 atom(s) hit accel clamp on step 0, first atom 1069 (3899466 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1069 (477692 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1071 (185144 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1071 (124933 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.50 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5794 / 5916 solvent mols in 347 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41460 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.50 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5794 / 5916 solvent mols in 345 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40691 ms
+Warn: 12 atom(s) hit accel clamp on step 0, first atom 1069 (276958 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1071 (454282 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1071 (121977 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1071 (126530 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.50 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5794 / 5916 solvent mols in 344 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41008 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.50 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5794 / 5916 solvent mols in 347 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41100 ms
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1420 (202581 -> 100000)
+Warn: 198 atom(s) hit accel clamp on step 1, first atom 59 (611570 -> 100000)
+Warn: 78 atom(s) hit accel clamp on step 2, first atom 60 (282744 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 3, first atom 60 (265963 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 4, first atom 60 (193013 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 5, first atom 1070 (1289760 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 6, first atom 1030 (104667 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 88 (110642 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 8, first atom 1078 (106929 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 81 (106555 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 10, first atom 1077 (178314 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 11, first atom 81 (173858 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 1049 (122020 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 13, first atom 1070 (855266 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 14, first atom 1009 (101327 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 15, first atom 1009 (178725 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1199 (112448 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1063 (107364 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 1010 (107480 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1067 (129723 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1196 (103065 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 73 (109441 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1075 (174470 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 23, first atom 1076 (130536 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 72 (111305 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1075 (338994 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1063 (120811 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1075 (1093502 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1069 (167592 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1063 (299353 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1063 (411557 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1072 (107557 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1071 (182094 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1067 (125401 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1070 (554445 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1069 (103509 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1067 (147944 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1067 (102503 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1070 (506323 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1056 (131231 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1071 (372624 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1071 (203326 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1043 (126429 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1070 (286281 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1070 (128570 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1077 (330711 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1066 (112024 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1070 (194490 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1070 (192700 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1070 (169104 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1076 (105053 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 58, first atom 1062 (144374 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1070 (171853 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1062 (109422 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 61, first atom 1062 (106175 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1062 (104488 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1066 (105051 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1062 (123764 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 79, first atom 1075 (143362 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1070 (106364 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1075 (102222 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1333 (110054 -> 100000)
+Warn: 191 atom(s) hit accel clamp on step 1, first atom 59 (604855 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 2, first atom 60 (280393 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 3, first atom 60 (266170 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 4, first atom 60 (195247 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 5, first atom 89 (122860 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 6, first atom 1036 (116511 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 7, first atom 1013 (100758 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 8, first atom 1076 (109977 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 9, first atom 81 (151391 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 10, first atom 81 (103497 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 11, first atom 81 (173689 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 12, first atom 81 (108928 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 13, first atom 78 (137716 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 1014 (101128 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 15, first atom 78 (103027 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 16, first atom 965 (138184 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1076 (145391 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1076 (114913 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 79 (114077 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 1202 (141462 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 1014 (124248 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1066 (113784 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1199 (535279 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 24, first atom 81 (163340 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 25, first atom 81 (169436 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 26, first atom 78 (145152 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1078 (137005 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 28, first atom 1069 (116880 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1069 (112925 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1081 (115171 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 31, first atom 1079 (136862 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1080 (185279 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 33, first atom 1078 (187964 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1077 (117152 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1666 (129037 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1077 (261847 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1100 (101595 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1138 (122520 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1073 (133000 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1078 (186379 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 76 (127280 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1079 (201803 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1078 (125657 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1078 (195667 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1078 (109253 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1082 (243975 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1082 (104509 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1078 (1193712 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1078 (551813 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1091 (101571 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1875 (151574 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1875 (153819 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1875 (114705 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1875 (183439 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1875 (126250 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 66, first atom 1082 (130553 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1068 (121305 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1078 (224317 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1078 (191681 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1079 (110893 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.59 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5795 / 5919 solvent mols in 393 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42265 ms
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 1064 (335644 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1351 (112974 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1351 (103210 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5798 / 5918 solvent mols in 337 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40771 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5798 / 5918 solvent mols in 339 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41637 ms
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1335 (193521 -> 100000)
+Warn: 187 atom(s) hit accel clamp on step 1, first atom 59 (600772 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 2, first atom 60 (280916 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 3, first atom 60 (266301 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 4, first atom 60 (199209 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 5, first atom 89 (110851 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 6, first atom 1032 (100650 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 7, first atom 88 (116333 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 8, first atom 1081 (136778 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 9, first atom 81 (109174 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 10, first atom 144 (112465 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 11, first atom 81 (175010 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 12, first atom 1072 (598199 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 13, first atom 1072 (671655 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 14, first atom 1010 (154491 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1011 (829267 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 16, first atom 1064 (112651 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 17, first atom 1012 (106293 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1012 (136732 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 1069 (106121 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 20, first atom 1010 (194412 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 21, first atom 1010 (114089 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 22, first atom 1071 (446057 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 23, first atom 1071 (128472 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1306 (119756 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 25, first atom 1032 (129129 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 26, first atom 1052 (109129 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 86 (104498 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1010 (109847 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1069 (139309 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1075 (103507 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1140 (152924 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1073 (100457 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 1074 (102879 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1891 (105252 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1072 (145375 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1284 (111532 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1135 (355992 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1085 (101862 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1075 (192613 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1078 (121902 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1073 (104908 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1074 (170147 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1074 (1112647 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1195 (112708 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1074 (123540 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1310 (111059 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1074 (112242 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1073 (144168 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1072 (139985 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1133 (104478 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1074 (104850 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1324 (217522 -> 100000)
+Warn: 179 atom(s) hit accel clamp on step 2, first atom 59 (598925 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 3, first atom 60 (277354 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 4, first atom 60 (265583 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 5, first atom 60 (214824 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 6, first atom 1072 (2084541 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 7, first atom 1049 (198372 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 8, first atom 88 (119082 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 9, first atom 1072 (248313 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 10, first atom 81 (131666 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 11, first atom 214 (101199 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 12, first atom 81 (175527 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 13, first atom 1073 (194337 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 84 (107712 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 1010 (111519 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 16, first atom 1010 (271772 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1010 (162975 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 18, first atom 1069 (128107 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 19, first atom 1063 (276674 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 20, first atom 1069 (115565 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 1077 (322625 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1062 (111159 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1197 (114305 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 24, first atom 1070 (136605 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1010 (114773 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1441 (164202 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1052 (111874 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1012 (105323 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1076 (625383 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1076 (217584 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1076 (434992 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1864 (269832 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1082 (132140 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1082 (200626 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1089 (118395 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1065 (525742 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1082 (109511 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1069 (143111 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1075 (124488 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1087 (101663 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1077 (201623 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1066 (104910 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1065 (354972 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1065 (113703 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1077 (165592 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1830 (133316 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1073 (2074009 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1066 (103624 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1073 (115343 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1087 (126177 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 51, first atom 1065 (304439 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1077 (144377 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1082 (266807 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 54, first atom 1072 (569829 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1072 (186671 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1072 (172698 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1073 (391185 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1073 (106795 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1077 (131811 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1074 (104961 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1077 (114564 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1076 (101315 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1072 (104190 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1072 (119351 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1072 (114449 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1072 (163894 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1078 (146207 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.59 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5795 / 5918 solvent mols in 346 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40845 ms
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 1066 (316605 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1068 (165315 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1351 (126129 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1068 (103553 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1782 (148300 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.56 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5798 / 5918 solvent mols in 343 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39538 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.56 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5798 / 5918 solvent mols in 338 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41528 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1356 (110934 -> 100000)
+Warn: 190 atom(s) hit accel clamp on step 1, first atom 59 (606025 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 2, first atom 60 (282069 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 3, first atom 60 (266249 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 4, first atom 60 (185497 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 5, first atom 89 (102205 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 6, first atom 1030 (113481 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 1009 (182271 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 8, first atom 1007 (115866 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 81 (112164 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 10, first atom 1070 (129750 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 11, first atom 81 (174435 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 1070 (293472 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 13, first atom 1070 (390904 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 14, first atom 1071 (141917 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 1007 (111697 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 78 (119063 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1062 (183047 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1070 (188926 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 1070 (229315 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1075 (226451 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 21, first atom 1007 (100669 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 80 (129703 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 74 (131790 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1068 (328626 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 25, first atom 71 (137862 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1048 (102464 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1069 (106855 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1075 (100533 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1071 (210152 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1067 (108938 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1080 (143731 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1071 (753367 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1071 (557113 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1058 (123570 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1074 (135962 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1047 (100647 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1063 (100923 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1067 (223850 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1071 (303021 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1075 (212314 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1094 (115189 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1071 (100884 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1094 (147717 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1071 (141428 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1070 (114588 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1062 (141076 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1071 (177814 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1072 (139780 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1072 (186441 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1070 (392635 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1070 (132442 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1063 (101156 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1065 (124674 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 63, first atom 1063 (133457 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1070 (101819 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 66, first atom 1062 (146089 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1074 (112817 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1072 (112567 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 112, first atom 1073 (123522 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1356 (100238 -> 100000)
+Warn: 190 atom(s) hit accel clamp on step 1, first atom 59 (607357 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 2, first atom 60 (279674 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 3, first atom 60 (265848 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 4, first atom 60 (193000 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 5, first atom 89 (105123 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 6, first atom 1030 (113649 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 1009 (162526 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 8, first atom 1079 (148715 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 81 (104565 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 10, first atom 1077 (146572 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 11, first atom 81 (174333 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 1070 (327398 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 13, first atom 1051 (110715 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 1008 (111455 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 15, first atom 1009 (985639 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 1070 (113387 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1010 (178567 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1010 (140701 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1078 (101737 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 1196 (158552 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 88 (107230 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1073 (113152 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1075 (255341 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 1049 (131154 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 25, first atom 1022 (127923 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 1062 (175961 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 27, first atom 1047 (127022 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1071 (278626 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1071 (301255 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1067 (130662 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1137 (132022 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1075 (131436 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1137 (101549 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1070 (115727 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1080 (189049 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1058 (272145 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1067 (232873 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 39, first atom 1067 (207617 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1085 (252650 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1072 (147068 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1070 (115954 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1077 (187705 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1065 (485883 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1065 (121457 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1065 (104536 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1075 (120137 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1075 (208976 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1065 (113776 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1070 (126051 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1070 (117780 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1065 (151879 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1065 (157911 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1078 (178001 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1075 (194615 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1075 (207612 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 69, first atom 1057 (111428 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1071 (122866 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1191 (103315 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1074 (107897 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1356 (102888 -> 100000)
+Warn: 191 atom(s) hit accel clamp on step 1, first atom 59 (607946 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 2, first atom 60 (280894 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 3, first atom 60 (266238 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 4, first atom 60 (191067 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 5, first atom 1070 (682600 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 6, first atom 1030 (106649 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 7, first atom 1009 (149244 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 8, first atom 1007 (102675 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 81 (318494 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 10, first atom 81 (314779 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 11, first atom 84 (110763 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 12, first atom 1070 (285366 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 1049 (111014 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 14, first atom 1070 (105238 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 15, first atom 1007 (105444 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 16, first atom 1070 (108488 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1010 (148386 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 1010 (194007 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1070 (141453 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1051 (107938 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 1034 (104130 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1075 (465437 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1199 (118383 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 24, first atom 1067 (109842 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 25, first atom 1067 (102419 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 26, first atom 1075 (121908 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 27, first atom 1069 (420831 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1069 (132483 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1075 (480475 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1075 (114681 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1048 (121090 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1280 (131779 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1075 (117711 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1660 (108340 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1066 (196294 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1202 (112616 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1080 (105509 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1067 (389674 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1067 (132222 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1053 (142368 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1053 (129770 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1072 (122845 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1075 (109486 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1065 (774920 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1070 (111994 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1065 (106572 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1059 (106143 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1065 (126477 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1075 (144966 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1075 (179567 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1065 (105027 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 53, first atom 1065 (115378 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 60 (128805 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1070 (331935 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1054 (148716 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1053 (206862 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1053 (121681 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1065 (191299 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1053 (114377 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1081 (149694 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1072 (100245 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1062 (113388 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1055 (101846 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1062 (138735 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1074 (112208 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1062 (169207 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1335 (233377 -> 100000)
+Warn: 193 atom(s) hit accel clamp on step 1, first atom 59 (604801 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 2, first atom 60 (280954 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 3, first atom 60 (265752 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 4, first atom 60 (191761 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 5, first atom 1072 (337688 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 6, first atom 1032 (111017 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 7, first atom 1009 (101799 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 8, first atom 1009 (103095 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 81 (226341 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 10, first atom 81 (224332 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 11, first atom 81 (131682 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 1072 (786687 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 13, first atom 1072 (574813 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 14, first atom 1076 (144441 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 1011 (544962 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 1096 (162824 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 1012 (152536 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1012 (189724 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 1072 (230131 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1198 (125223 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 1036 (102705 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1077 (260067 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1075 (117430 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 24, first atom 1070 (112467 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1070 (118070 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 26, first atom 1073 (174255 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 27, first atom 1049 (158917 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1632 (165116 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1077 (188124 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1069 (152156 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1069 (130539 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1283 (115948 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1077 (125975 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1077 (179692 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1046 (124802 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1069 (101548 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1442 (104495 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1069 (275082 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1069 (260359 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1077 (137246 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1077 (122080 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1077 (191857 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1075 (112930 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1060 (112277 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1058 (122852 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1096 (100557 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1061 (106056 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1075 (127742 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1072 (167401 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1077 (1513547 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1077 (268124 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1077 (103062 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1077 (106751 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1077 (155661 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1077 (129747 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1081 (116351 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.59 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5795 / 5919 solvent mols in 338 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39025 ms
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 1064 (253065 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1066 (138954 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1351 (116672 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5798 / 5918 solvent mols in 402 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41284 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5798 / 5918 solvent mols in 337 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41332 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1320 (130631 -> 100000)
+Warn: 188 atom(s) hit accel clamp on step 1, first atom 59 (604607 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 2, first atom 60 (281058 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 3, first atom 60 (220045 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 4, first atom 60 (190150 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 5, first atom 89 (110943 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 6, first atom 1032 (104086 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 7, first atom 1009 (159419 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 8, first atom 1009 (114034 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 9, first atom 81 (166959 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 10, first atom 1079 (211672 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 11, first atom 81 (173579 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 12, first atom 1069 (146367 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 13, first atom 78 (121860 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 14, first atom 1072 (102603 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 15, first atom 1072 (201516 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 78 (138231 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 1076 (348673 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1012 (167981 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 1874 (191926 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1034 (109361 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 21, first atom 1071 (355052 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 22, first atom 1010 (106345 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 1078 (274214 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 24, first atom 74 (132456 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 25, first atom 1024 (138373 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1070 (108283 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1082 (132959 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1069 (184803 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1065 (106060 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1071 (125135 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1073 (1110704 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1073 (158041 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1078 (115729 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1065 (136059 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1073 (223179 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 73 (115861 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1075 (140307 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1072 (200755 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1072 (101857 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1073 (103243 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1073 (839582 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1073 (260015 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1072 (316656 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 45, first atom 1072 (358063 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1072 (112686 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1072 (174055 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1096 (144044 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1077 (115581 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1096 (105044 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1072 (431698 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1072 (184526 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1195 (130594 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1072 (115416 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1072 (110402 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1197 (105556 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1195 (165354 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1072 (187101 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1096 (126325 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1193 (114833 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1193 (163532 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1072 (128984 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1076 (144202 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1076 (124682 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1078 (221696 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1078 (112086 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.59 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5795 / 5919 solvent mols in 347 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40967 ms
+Warn: 15 atom(s) hit accel clamp on step 0, first atom 1068 (1311222 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1068 (209388 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1203 (100515 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1796 (109307 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.56 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5798 / 5918 solvent mols in 336 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39640 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.56 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5798 / 5918 solvent mols in 379 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41780 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1356 (249364 -> 100000)
+Warn: 189 atom(s) hit accel clamp on step 1, first atom 59 (605696 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 2, first atom 60 (282018 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 3, first atom 60 (265894 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 4, first atom 60 (186425 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 5, first atom 1070 (2088319 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 6, first atom 1030 (106995 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 7, first atom 1007 (169265 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 8, first atom 1007 (130440 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 9, first atom 81 (307001 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 10, first atom 81 (198546 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 11, first atom 81 (169878 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 12, first atom 1049 (110550 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 13, first atom 1070 (309469 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 14, first atom 1067 (108371 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 15, first atom 1008 (117757 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1199 (145409 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1061 (113621 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 18, first atom 1062 (326142 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1070 (320785 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1060 (231606 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 1007 (132054 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1075 (968118 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 74 (126126 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1030 (112691 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 71 (101240 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 26, first atom 1069 (191011 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1069 (222410 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1069 (101020 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1080 (158793 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1067 (110337 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1060 (157670 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1060 (101047 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1080 (144412 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1287 (115425 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1063 (128724 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1047 (129833 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1044 (104502 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1067 (144846 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1075 (103374 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1070 (118721 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 74 (125354 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1071 (440081 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1075 (142967 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1076 (312398 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1076 (369519 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1076 (153186 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1071 (106225 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1076 (158167 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1071 (180107 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1071 (341520 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1032 (124731 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1094 (105886 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1080 (109392 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1094 (176750 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1094 (248011 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1094 (121269 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 66, first atom 1072 (108957 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1080 (109219 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1062 (151868 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1094 (115997 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1094 (100648 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1070 (186096 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1081 (317969 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1063 (249335 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1335 (160990 -> 100000)
+Warn: 194 atom(s) hit accel clamp on step 1, first atom 59 (598964 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 2, first atom 60 (281550 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 3, first atom 60 (266130 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 4, first atom 60 (187080 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 5, first atom 89 (104470 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 6, first atom 1049 (171640 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 1009 (133626 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 8, first atom 1009 (123071 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 9, first atom 81 (226636 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 10, first atom 81 (157228 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 11, first atom 81 (172485 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 12, first atom 143 (376667 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 84 (137201 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 14, first atom 1069 (132907 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 15, first atom 1009 (111129 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 16, first atom 78 (143068 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1064 (112498 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 18, first atom 1069 (106037 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 19, first atom 79 (100118 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1072 (120396 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 21, first atom 1062 (118383 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1064 (116377 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 1072 (186818 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 24, first atom 84 (111831 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 25, first atom 1032 (107348 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1073 (4404220 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 27, first atom 1053 (139448 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 28, first atom 1071 (234767 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 29, first atom 1071 (131325 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1073 (104833 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1077 (113842 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1282 (163482 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1073 (108174 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 1073 (106727 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1076 (1182383 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1065 (253562 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1076 (122640 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1081 (140229 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1078 (137121 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1078 (108177 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1096 (122281 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1079 (125895 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1077 (899342 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1072 (122058 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1077 (897477 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1065 (102134 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1073 (249143 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1082 (219478 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1067 (161196 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1077 (159794 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1133 (112650 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1061 (114216 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1075 (350884 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1072 (151852 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1077 (258054 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1078 (111858 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1096 (142310 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1072 (226845 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1073 (106781 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1076 (104812 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1078 (308711 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 75, first atom 1076 (305237 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1077 (165676 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1064 (238265 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 111, first atom 1072 (141361 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 114, first atom 1064 (140124 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 120, first atom 1064 (119058 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1356 (218286 -> 100000)
+Warn: 195 atom(s) hit accel clamp on step 1, first atom 59 (611378 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 2, first atom 60 (280879 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 3, first atom 60 (261229 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 4, first atom 60 (192294 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 5, first atom 89 (108443 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 6, first atom 1045 (105665 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 7, first atom 1007 (153809 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 8, first atom 1007 (123556 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 81 (220455 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 10, first atom 1077 (154808 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 11, first atom 81 (174377 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 12, first atom 1049 (101929 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 13, first atom 84 (122728 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 1067 (118453 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 15, first atom 1070 (199017 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 1070 (113718 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 17, first atom 1134 (126772 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 18, first atom 1010 (147472 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 1067 (126969 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 20, first atom 76 (113597 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 1073 (179429 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1073 (142240 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 23, first atom 1072 (216287 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 24, first atom 1072 (155275 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1022 (102561 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1075 (216117 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1069 (115883 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 28, first atom 1069 (104260 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1071 (250565 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1067 (115825 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1903 (104427 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1050 (109198 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1075 (441011 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1075 (110970 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1070 (134121 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1047 (204864 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1074 (111126 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1067 (145142 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1067 (157541 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 1072 (110924 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1080 (104216 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1071 (309550 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1071 (1164173 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1071 (629256 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 45, first atom 1071 (233549 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1076 (213155 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1076 (623156 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1059 (115168 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1085 (144506 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1083 (202533 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1060 (100230 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1080 (113024 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1065 (165805 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1073 (105709 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1070 (116509 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1080 (118304 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1080 (104213 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1074 (161663 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1080 (203007 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1080 (135245 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1073 (324533 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1080 (104392 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1080 (110422 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1080 (154896 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1080 (102677 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 115, first atom 1082 (103912 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 1070 (229932 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1084 (106186 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1131 (129686 -> 100000)
+Warn: 146 atom(s) hit accel clamp on step 5, first atom 126 (262285 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 6, first atom 1048 (202145 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 7, first atom 471 (174006 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 8, first atom 478 (301445 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 9, first atom 473 (135412 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 10, first atom 1049 (212156 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 11, first atom 475 (161425 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 12, first atom 1290 (145294 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 1283 (105784 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 14, first atom 1264 (101391 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 15, first atom 1310 (103716 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 1289 (922391 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 17, first atom 1166 (122996 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 18, first atom 1404 (176056 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1283 (187942 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 20, first atom 1285 (147257 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 21, first atom 1289 (223088 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1289 (144483 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1418 (144794 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1399 (117292 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1422 (286784 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1289 (256405 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 27, first atom 1289 (147165 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1296 (136365 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1398 (598151 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1296 (157007 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1050 (108006 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1296 (107347 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1047 (105891 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1406 (145020 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1423 (125401 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1047 (372393 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 37, first atom 1418 (111938 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1406 (131613 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1047 (100106 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1422 (1640478 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 41, first atom 1047 (133694 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1423 (690393 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1422 (172598 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1453 (103126 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1417 (106970 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1421 (244895 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1406 (140416 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1424 (151384 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1406 (103493 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1418 (104281 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1418 (433818 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1418 (301742 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1423 (104394 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1283 (171943 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1423 (204747 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1417 (131800 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 88, first atom 1407 (109982 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1356 (217401 -> 100000)
+Warn: 193 atom(s) hit accel clamp on step 1, first atom 59 (607897 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 2, first atom 60 (280044 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 3, first atom 60 (266722 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 4, first atom 60 (196749 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 5, first atom 1070 (1869326 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 6, first atom 1030 (111616 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 7, first atom 88 (101561 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 8, first atom 1007 (114734 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 9, first atom 81 (206908 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 10, first atom 81 (234645 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 11, first atom 81 (168213 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 12, first atom 1049 (123858 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 13, first atom 1071 (349102 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 14, first atom 1070 (105357 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 15, first atom 1008 (141554 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 16, first atom 1199 (158767 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 85 (138095 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1071 (100204 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 19, first atom 1067 (119687 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1079 (246276 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 80 (172364 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 22, first atom 1060 (116736 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 23, first atom 1049 (109219 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1075 (243491 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 74 (131546 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1075 (1382681 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1069 (144623 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1071 (208957 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1072 (332159 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1067 (109086 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1047 (134151 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1072 (199711 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 33, first atom 1056 (130092 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1280 (110738 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1050 (108427 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 36, first atom 1058 (231468 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 37, first atom 1071 (518762 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1067 (104327 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1075 (291432 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 40, first atom 1071 (149819 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1071 (115262 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1070 (762010 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1070 (240384 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1072 (155255 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1070 (174437 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1075 (327985 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1070 (498666 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 73 (107741 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1075 (549936 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1053 (129185 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1071 (105782 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1071 (214603 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 74 (139440 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1070 (217259 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1070 (119755 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1070 (109209 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 61, first atom 1070 (318882 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 62, first atom 1071 (150288 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 63, first atom 1070 (362843 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1070 (251565 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1071 (198928 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 66, first atom 1070 (122531 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1070 (114335 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1071 (140127 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1889 (109740 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1075 (135180 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1076 (239162 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1075 (114777 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1075 (159533 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1070 (109848 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1075 (110902 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 92, first atom 1076 (472392 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.59 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5795 / 5919 solvent mols in 338 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41318 ms
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 1064 (158661 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1066 (101996 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1213 (102639 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5798 / 5918 solvent mols in 343 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40997 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5798 / 5918 solvent mols in 341 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 38984 ms
+Warn: 12 atom(s) hit accel clamp on step 0, first atom 1067 (676344 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1082 (104443 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 3, first atom 1068 (101467 -> 100000)
+Warn: 153 atom(s) hit accel clamp on step 4, first atom 126 (262099 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 5, first atom 1046 (207229 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 6, first atom 469 (174128 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 7, first atom 1060 (107079 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 8, first atom 1116 (119877 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 9, first atom 474 (103201 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 10, first atom 1043 (222651 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 11, first atom 1116 (148777 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 1287 (110458 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 13, first atom 1273 (110717 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 14, first atom 1417 (102783 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 15, first atom 1283 (129447 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 1006 (117639 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 1006 (196561 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1287 (102518 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 19, first atom 1307 (121657 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1287 (136736 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 21, first atom 1287 (235290 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1343 (139685 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1282 (124701 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 25, first atom 1343 (196891 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1398 (114356 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1398 (163779 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1397 (176563 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1045 (105781 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1416 (638706 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1042 (124048 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1416 (161442 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1281 (109094 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1415 (106311 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1422 (136132 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1125 (104838 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1421 (178532 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1421 (283327 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1421 (528725 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1042 (101116 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1421 (141973 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1421 (103751 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1425 (290472 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1416 (101721 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1421 (162513 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.59 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5795 / 5919 solvent mols in 390 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40022 ms
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1064 (4225836 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1064 (326160 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1064 (240159 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1064 (246235 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 7, first atom 1064 (105495 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5798 / 5918 solvent mols in 346 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42561 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5798 / 5918 solvent mols in 341 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40123 ms
+Warn: 195 atom(s) hit accel clamp on step 1, first atom 59 (605391 -> 100000)
+Warn: 83 atom(s) hit accel clamp on step 2, first atom 60 (282752 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 3, first atom 60 (263767 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 4, first atom 60 (182575 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 5, first atom 1072 (1374490 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 6, first atom 474 (129093 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 7, first atom 1043 (226117 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 8, first atom 1076 (172177 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 9, first atom 1074 (653149 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 10, first atom 81 (362317 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 11, first atom 1058 (186064 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 1073 (124372 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 13, first atom 1075 (449868 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 473 (116651 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 15, first atom 1067 (135577 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 16, first atom 1060 (103842 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 17, first atom 1060 (218251 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1069 (102313 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 19, first atom 1068 (125504 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 20, first atom 1067 (128680 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 1128 (127797 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 22, first atom 1072 (652879 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 23, first atom 1072 (296728 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1072 (112088 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 25, first atom 1067 (4246860 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1067 (4207746 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1192 (108325 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 28, first atom 463 (121212 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1069 (109121 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 1065 (109803 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 31, first atom 1069 (128050 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 32, first atom 1067 (449392 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1046 (120687 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1058 (119822 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1070 (101441 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1074 (150129 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1064 (100256 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1070 (136448 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1070 (163782 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1123 (115737 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1422 (178498 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1422 (262782 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1422 (114515 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1419 (131112 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1419 (105448 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1422 (138253 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1422 (117219 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1420 (178030 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1422 (208212 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1131 (117305 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1422 (110926 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1422 (106975 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1427 (158961 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1422 (125965 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1062 (107706 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1422 (222403 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 63, first atom 1069 (126540 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 64, first atom 1068 (118968 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1417 (485281 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1068 (126138 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1061 (111889 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1071 (115043 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1070 (104143 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1418 (113236 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1417 (145421 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 86, first atom 1417 (108149 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.59 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5796 / 5919 solvent mols in 346 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39165 ms
+Warn: 11 atom(s) hit accel clamp on step 0, first atom 1064 (1332912 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1353 (128062 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5799 / 5918 solvent mols in 394 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39854 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5799 / 5918 solvent mols in 340 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41102 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1326 (133344 -> 100000)
+Warn: 186 atom(s) hit accel clamp on step 1, first atom 59 (605417 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 2, first atom 60 (282820 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 3, first atom 60 (252644 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 4, first atom 60 (193043 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 5, first atom 1070 (111038 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 6, first atom 1030 (109735 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 7, first atom 1007 (140182 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 8, first atom 1007 (127343 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 9, first atom 1070 (128174 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 10, first atom 81 (362741 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 11, first atom 1060 (202939 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 12, first atom 1070 (147589 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 13, first atom 1051 (114670 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 1067 (125490 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 15, first atom 1008 (120706 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 16, first atom 1008 (203492 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 17, first atom 1062 (124156 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1010 (182180 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 1072 (167273 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1010 (110737 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 21, first atom 1007 (112020 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1084 (138959 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 23, first atom 1070 (1741600 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1070 (1822299 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1030 (105208 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1070 (186691 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1221 (127522 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1074 (641383 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1069 (135966 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1067 (156494 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1071 (901310 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1074 (490549 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1074 (411282 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1284 (128967 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1070 (175319 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1062 (166182 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1067 (134254 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1067 (132872 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1070 (107625 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1074 (286723 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1065 (274335 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1070 (301297 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1070 (140570 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1514 (123795 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1070 (172547 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1070 (109418 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1071 (120018 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1066 (104853 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1070 (104554 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1070 (140459 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1070 (143378 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1072 (122409 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1070 (110353 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1075 (108548 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.58 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5796 / 5918 solvent mols in 339 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41206 ms
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1066 (356818 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1233 (103417 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1346 (106335 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.56 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5799 / 5918 solvent mols in 341 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39712 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.56 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5799 / 5918 solvent mols in 346 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40924 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1423 (275660 -> 100000)
+Warn: 178 atom(s) hit accel clamp on step 5, first atom 59 (576046 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 6, first atom 60 (271436 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 7, first atom 60 (267199 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 8, first atom 60 (229771 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 9, first atom 1050 (133748 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 10, first atom 57 (106508 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 11, first atom 1046 (191022 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 12, first atom 1080 (408684 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 13, first atom 1072 (126736 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 81 (185864 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 1061 (283593 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 16, first atom 1080 (122723 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1080 (116585 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1081 (174813 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 19, first atom 1284 (423582 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 1074 (151342 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1064 (177293 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 22, first atom 1063 (487131 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 23, first atom 1057 (182815 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 24, first atom 1057 (163906 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 25, first atom 1061 (136064 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 1035 (406007 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 1035 (604025 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1068 (197374 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1068 (106646 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1075 (165961 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1072 (225759 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1074 (181667 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1075 (101766 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1080 (101955 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1872 (130659 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1064 (195793 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1073 (150606 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1080 (128808 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 41, first atom 1063 (388174 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1068 (121775 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1064 (131588 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1307 (121235 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1064 (130012 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1064 (138944 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1064 (104768 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1073 (111898 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1073 (212325 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1064 (122983 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1063 (102797 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1064 (215130 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1064 (128389 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1080 (115456 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1063 (117749 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 97, first atom 1064 (105605 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1329 (105180 -> 100000)
+Warn: 190 atom(s) hit accel clamp on step 1, first atom 59 (604501 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 2, first atom 60 (280073 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 3, first atom 60 (266024 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 4, first atom 60 (193122 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 5, first atom 1069 (114696 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 6, first atom 1028 (102453 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 7, first atom 1007 (193718 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 8, first atom 1043 (129320 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 1069 (111130 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 10, first atom 1074 (118880 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 11, first atom 1058 (187363 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 12, first atom 1068 (155953 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 13, first atom 1047 (113759 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 14, first atom 1082 (127225 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 15, first atom 1007 (630291 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 16, first atom 1072 (158853 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1008 (113774 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 1008 (235130 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1008 (103228 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 20, first atom 1049 (101597 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 1073 (243735 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1068 (316493 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 1067 (107410 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1068 (642652 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1020 (121393 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1069 (126864 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1049 (104942 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1072 (139174 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1065 (110362 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1908 (106858 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1075 (101852 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1067 (176199 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1077 (129828 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1072 (158605 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1068 (110144 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1064 (133858 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1058 (114913 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1069 (696108 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1069 (405701 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1132 (105633 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1083 (102902 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1071 (104671 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1078 (113372 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1070 (148591 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1068 (424226 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1068 (104913 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1070 (102198 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1071 (190606 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1073 (131313 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1071 (346049 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1070 (112387 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1077 (101131 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1070 (210068 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1070 (117679 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.59 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5797 / 5919 solvent mols in 343 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40357 ms
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 1065 (191279 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1084 (110290 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1067 (294925 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1067 (236240 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1067 (298799 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1067 (188884 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5800 / 5918 solvent mols in 338 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40510 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5800 / 5918 solvent mols in 335 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41235 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1325 (192496 -> 100000)
+Warn: 187 atom(s) hit accel clamp on step 1, first atom 59 (598587 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 2, first atom 60 (282789 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 3, first atom 60 (229066 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 4, first atom 60 (180722 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 5, first atom 89 (107777 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 6, first atom 1044 (100685 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 7, first atom 1008 (169632 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 8, first atom 1006 (100515 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 1130 (1204430 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 10, first atom 81 (370403 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 11, first atom 1059 (190830 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 12, first atom 1069 (101489 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 13, first atom 1048 (156756 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 14, first atom 1007 (112590 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 15, first atom 1008 (640985 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 1126 (108945 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1070 (166357 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 1009 (275758 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1009 (151073 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1055 (120191 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 21, first atom 1009 (102729 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 22, first atom 1033 (110850 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1263 (124514 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1073 (620076 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1021 (122513 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 1048 (250054 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1073 (177943 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1067 (107145 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1062 (112895 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1073 (151682 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1055 (148391 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1068 (104547 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1066 (100195 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1055 (121876 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1069 (247780 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1069 (347764 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1083 (325572 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1083 (153448 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1059 (118301 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1069 (212296 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1069 (671416 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1073 (124363 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1073 (123376 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1070 (217143 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1070 (169144 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1061 (109799 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1081 (103112 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1071 (105639 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1070 (124125 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1072 (188391 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1062 (117856 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1070 (146789 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1285 (115514 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1031 (121985 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1031 (107628 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1049 (208282 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1075 (118563 -> 100000)
+Warn: 168 atom(s) hit accel clamp on step 5, first atom 59 (535201 -> 100000)
+Warn: 75 atom(s) hit accel clamp on step 6, first atom 60 (272204 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 7, first atom 60 (267114 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 8, first atom 60 (149306 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 9, first atom 1095 (173412 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 10, first atom 476 (117349 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 11, first atom 1071 (208451 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 12, first atom 419 (122542 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 13, first atom 1071 (103977 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 14, first atom 476 (115196 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 15, first atom 1070 (100862 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 1335 (130490 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 475 (101176 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1071 (155978 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 1285 (458186 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 20, first atom 1285 (293239 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 477 (150575 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 474 (165036 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 23, first atom 472 (157751 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 24, first atom 408 (204864 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 25, first atom 408 (355036 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 26, first atom 1127 (199747 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 27, first atom 408 (270969 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 28, first atom 474 (110549 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 29, first atom 1070 (107974 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1312 (176084 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1070 (120790 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 32, first atom 1358 (219165 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 33, first atom 1286 (156093 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 34, first atom 1312 (133789 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 35, first atom 1070 (107790 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1422 (410650 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1426 (378830 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1317 (153116 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1376 (105816 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1317 (103792 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 41, first atom 472 (104169 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 42, first atom 1206 (101377 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 43, first atom 1317 (147477 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1359 (101796 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 45, first atom 1368 (339399 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1317 (125351 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 47, first atom 481 (122978 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 48, first atom 1313 (565795 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 49, first atom 1313 (162298 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1317 (159792 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1424 (141458 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1317 (195854 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1414 (132259 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1422 (149838 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1425 (108425 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1425 (101046 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1430 (117963 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1424 (216477 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 63, first atom 1420 (258994 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 65, first atom 1421 (269750 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1420 (246314 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1420 (229871 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1420 (242970 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1421 (128773 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 73, first atom 1063 (147128 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1358 (113953 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1421 (153367 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1422 (190077 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1421 (163061 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1420 (167329 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1421 (186401 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 90, first atom 1421 (141700 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 91, first atom 1425 (291284 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 92, first atom 1428 (258876 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1421 (134018 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 102, first atom 1427 (125041 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 105, first atom 1421 (116632 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 106, first atom 1421 (122921 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.59 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5797 / 5919 solvent mols in 390 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40791 ms
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1065 (4021830 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1065 (1663208 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1065 (216226 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1065 (142882 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 7, first atom 1065 (103989 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1065 (103813 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5800 / 5918 solvent mols in 376 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42483 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5800 / 5918 solvent mols in 337 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41390 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1073 (190381 -> 100000)
+Warn: 176 atom(s) hit accel clamp on step 1, first atom 59 (608024 -> 100000)
+Warn: 81 atom(s) hit accel clamp on step 2, first atom 60 (281520 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 3, first atom 60 (267664 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 4, first atom 69 (171451 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 5, first atom 1073 (193301 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 6, first atom 1029 (114938 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 7, first atom 1008 (169316 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 8, first atom 1131 (2074177 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 9, first atom 1131 (1519643 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 10, first atom 486 (197276 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 11, first atom 1131 (133860 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 12, first atom 1069 (662139 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 13, first atom 1069 (122661 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 14, first atom 1007 (142015 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 15, first atom 1008 (2009201 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 16, first atom 1006 (113608 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 1069 (127501 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 18, first atom 1008 (109299 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 1307 (100076 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 20, first atom 70 (108233 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 21, first atom 1046 (109431 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1284 (130431 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 23, first atom 1133 (104430 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1420 (2073620 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 25, first atom 463 (103088 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 1067 (132322 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1046 (142647 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1069 (131174 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1061 (157310 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1419 (159249 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1062 (192220 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 32, first atom 1419 (134804 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 1069 (116915 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1765 (100444 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1443 (230947 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1658 (114645 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1424 (118878 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1426 (144884 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1432 (126633 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1409 (401388 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1409 (183441 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1420 (109794 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1419 (225584 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1068 (107290 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1063 (107085 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1066 (144621 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1064 (108028 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1431 (269414 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1424 (144254 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1433 (208775 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1421 (234521 -> 100000)
+Warn: 190 atom(s) hit accel clamp on step 1, first atom 59 (599889 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 2, first atom 60 (281241 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 3, first atom 60 (266315 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 4, first atom 60 (190732 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 5, first atom 1072 (118480 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 6, first atom 1031 (107139 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 1010 (166615 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 8, first atom 1079 (183755 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 9, first atom 81 (112806 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 10, first atom 1077 (103181 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 11, first atom 1061 (193141 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 12, first atom 1068 (155466 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 13, first atom 1050 (192593 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 1071 (186172 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 15, first atom 1008 (192209 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 1008 (155617 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 17, first atom 1205 (106960 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 18, first atom 1011 (129378 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1072 (133073 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 1011 (107308 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 1009 (190476 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1071 (171035 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1075 (629124 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 74 (117606 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1031 (103548 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1063 (100281 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1072 (138802 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1068 (161373 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1072 (126270 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 30, first atom 1071 (123173 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1071 (109737 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1072 (308594 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1781 (105446 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1075 (209661 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1074 (952390 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1074 (113970 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1063 (134216 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1009 (122629 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1071 (158560 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1072 (127967 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1072 (172829 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1072 (113284 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1012 (102796 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1071 (122249 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1072 (133106 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1076 (125343 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1074 (298088 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1086 (128854 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.59 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5799 / 5919 solvent mols in 374 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41939 ms
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 1065 (305097 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1233 (145764 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1065 (100559 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1784 (159451 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1797 (101751 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 344 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41934 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 336 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39382 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1361 (175583 -> 100000)
+Warn: 190 atom(s) hit accel clamp on step 1, first atom 59 (602754 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 2, first atom 60 (281220 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 3, first atom 60 (266190 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 4, first atom 60 (185278 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 5, first atom 89 (109415 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 6, first atom 1031 (106698 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 1010 (192882 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 8, first atom 1080 (151091 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 9, first atom 1071 (104278 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 10, first atom 1072 (110281 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 11, first atom 1061 (173263 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 12, first atom 1192 (234747 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 1008 (109778 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 14, first atom 1068 (105154 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 15, first atom 1010 (2098232 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 16, first atom 1008 (196616 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 17, first atom 1008 (298450 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1073 (109831 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1050 (109724 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1070 (155915 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1072 (392272 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1072 (157846 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1072 (135233 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 1010 (102944 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 25, first atom 1070 (393504 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1079 (100435 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1076 (500090 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1076 (110094 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1070 (145356 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1081 (152880 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1050 (104828 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 32, first atom 1048 (105223 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1081 (171657 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1407 (217640 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1071 (102981 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 37, first atom 1066 (172806 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1066 (154140 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1068 (104751 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1009 (101072 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1071 (228056 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1071 (105707 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1059 (182058 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1063 (173193 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1071 (118162 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1077 (326104 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1050 (210304 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1077 (114558 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1073 (208462 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1071 (133845 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1071 (112417 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1086 (108487 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1071 (194610 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1064 (103918 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 79, first atom 1063 (104679 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1361 (152938 -> 100000)
+Warn: 190 atom(s) hit accel clamp on step 1, first atom 59 (604496 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 2, first atom 60 (280998 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 3, first atom 60 (265647 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 4, first atom 60 (190712 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 5, first atom 1072 (113541 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 6, first atom 1031 (109746 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 1010 (197515 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 8, first atom 1080 (157939 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 9, first atom 1107 (109244 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 10, first atom 1078 (109373 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 11, first atom 1061 (159744 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 1071 (105728 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 13, first atom 1192 (176589 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 1009 (114632 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1010 (858831 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 1008 (168731 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 17, first atom 1072 (160935 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 18, first atom 1072 (178337 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 1071 (172421 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 20, first atom 1011 (104265 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 1009 (171875 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1076 (528876 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1076 (574599 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 87 (101807 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 25, first atom 1023 (126497 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1076 (141543 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1071 (110019 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1070 (137333 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1070 (264351 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 30, first atom 1068 (107077 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1070 (187286 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1048 (254894 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 77 (128801 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1072 (142373 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1071 (108320 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1081 (210437 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1065 (103395 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1063 (171292 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 39, first atom 1009 (273967 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1064 (214549 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1076 (161934 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1074 (175861 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1076 (182907 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1076 (219139 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1072 (102856 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1316 (101105 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1081 (280279 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1081 (151819 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1083 (109958 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1076 (126376 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1081 (1592958 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1082 (111062 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1081 (446662 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1063 (141363 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1081 (172214 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1077 (501222 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1081 (140082 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1076 (104919 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1062 (108885 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1076 (148997 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1077 (267763 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1076 (413591 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1077 (365060 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1072 (160461 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1076 (132992 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1074 (144763 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1074 (103490 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1081 (180999 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1081 (144876 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.58 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5799 / 5918 solvent mols in 347 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41977 ms
+Warn: 18 atom(s) hit accel clamp on step 0, first atom 1065 (120159 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1235 (130918 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1356 (133814 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1074 (108042 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.56 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 341 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41958 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.56 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 363 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41308 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1360 (119754 -> 100000)
+Warn: 193 atom(s) hit accel clamp on step 1, first atom 59 (599298 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 2, first atom 60 (282051 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 3, first atom 60 (254684 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 4, first atom 60 (189330 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 5, first atom 89 (107306 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 6, first atom 1029 (111371 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 7, first atom 88 (111708 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 8, first atom 1044 (107203 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 9, first atom 1069 (123057 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 10, first atom 81 (368710 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 11, first atom 1059 (166469 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 12, first atom 1113 (119054 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 13, first atom 1078 (156614 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 14, first atom 1007 (120731 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1006 (119615 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 16, first atom 1006 (137051 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 17, first atom 1062 (109038 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 18, first atom 1070 (327450 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 19, first atom 1048 (114271 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 60 (111848 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 21, first atom 1067 (106504 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1067 (117076 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 82 (113733 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 1068 (696644 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1068 (297427 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1048 (101411 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1074 (1662767 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1070 (189316 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1072 (123721 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 1066 (151267 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1069 (324294 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1069 (146977 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1079 (104282 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 1069 (148923 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1070 (315823 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1059 (100832 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 37, first atom 1063 (132524 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1043 (100563 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1063 (177335 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1063 (155806 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1074 (150107 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1062 (140475 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1070 (405215 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1070 (384861 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1069 (169236 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1073 (109718 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1061 (102338 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1061 (153304 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1061 (156039 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1069 (123106 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1074 (132171 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1074 (119195 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1069 (199157 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1074 (114187 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1069 (291190 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1071 (113584 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.59 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5799 / 5919 solvent mols in 370 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41520 ms
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 1065 (1451850 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1065 (328822 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1065 (120075 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 3, first atom 1065 (127692 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1065 (152343 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1072 (210154 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1858 (109546 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 16, first atom 1072 (119811 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 347 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41559 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 341 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39355 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1339 (108496 -> 100000)
+Warn: 191 atom(s) hit accel clamp on step 1, first atom 59 (600701 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 2, first atom 60 (282423 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 3, first atom 60 (266267 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 4, first atom 60 (179149 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 5, first atom 89 (110535 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 6, first atom 1031 (104881 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 7, first atom 1008 (102956 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 8, first atom 1008 (122314 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 9, first atom 1078 (440858 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 10, first atom 81 (361650 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 11, first atom 1061 (177957 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 1077 (137214 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 13, first atom 1192 (178622 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 14, first atom 1068 (114811 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 1010 (183340 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 1063 (107033 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1063 (106137 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 18, first atom 1072 (158450 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1073 (527615 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1008 (118671 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 1079 (105846 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1071 (110446 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1072 (141831 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1076 (247081 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 25, first atom 1031 (124153 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 26, first atom 72 (168570 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 1048 (105500 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1076 (1273544 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1048 (103061 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1072 (124333 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1052 (137073 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1071 (111804 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1071 (191362 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 34, first atom 1071 (371563 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1072 (284467 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1071 (450546 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 37, first atom 1071 (134831 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1068 (100029 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1074 (199862 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1071 (960516 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 41, first atom 1071 (753736 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1071 (253220 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1071 (107381 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1059 (120968 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1066 (386491 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1071 (176426 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1071 (112094 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 51, first atom 1065 (100627 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1073 (157255 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1071 (112842 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1071 (176086 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1071 (143744 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1339 (109754 -> 100000)
+Warn: 190 atom(s) hit accel clamp on step 1, first atom 59 (603895 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 2, first atom 60 (282581 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 3, first atom 60 (251617 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 4, first atom 60 (185686 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 5, first atom 89 (102807 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 6, first atom 1031 (118368 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 7, first atom 1010 (161009 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 8, first atom 1008 (120856 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 9, first atom 1078 (288246 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 10, first atom 81 (323168 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 11, first atom 1061 (179200 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 12, first atom 1077 (104056 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 13, first atom 1192 (131064 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 1009 (125206 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 15, first atom 1010 (332798 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 1063 (122994 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1063 (118160 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1011 (203124 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 19, first atom 1070 (225832 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1008 (106240 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 1076 (109235 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1076 (217721 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1071 (135681 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1076 (599266 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 25, first atom 1070 (142994 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 72 (140591 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1048 (140171 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1071 (133879 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1076 (151132 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1071 (145299 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1071 (109587 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1044 (108415 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1057 (102475 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1071 (145131 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1076 (107666 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1064 (217706 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 37, first atom 1048 (196156 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1071 (135309 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1071 (171482 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1077 (304830 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1072 (288866 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1075 (116450 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1074 (365105 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1074 (394192 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1074 (156462 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1074 (110002 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1077 (1385475 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1077 (877750 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1074 (133025 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1074 (116443 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1081 (329598 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1071 (124854 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1071 (151326 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1071 (100940 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1073 (145542 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 73, first atom 1064 (256376 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1080 (209915 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1073 (124358 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1073 (117561 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.58 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5799 / 5918 solvent mols in 342 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42301 ms
+Warn: 13 atom(s) hit accel clamp on step 0, first atom 1065 (115017 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1067 (190658 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1067 (163227 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1067 (114876 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.56 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 364 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41151 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.56 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 368 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42176 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1326 (194533 -> 100000)
+Warn: 192 atom(s) hit accel clamp on step 1, first atom 59 (607266 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 2, first atom 60 (281762 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 3, first atom 60 (266081 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 4, first atom 60 (175333 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 5, first atom 89 (133981 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 6, first atom 1029 (103852 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 1008 (146012 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 8, first atom 1006 (113879 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 9, first atom 1069 (184460 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 10, first atom 81 (365203 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 11, first atom 1059 (229655 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 12, first atom 1069 (113356 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 13, first atom 1069 (109909 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 14, first atom 1069 (108236 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 15, first atom 1008 (927233 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1197 (162779 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 1062 (109427 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 1009 (273678 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 1071 (202475 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 20, first atom 1050 (109815 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 21, first atom 1009 (125556 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1074 (638071 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 23, first atom 74 (131629 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1021 (181397 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 25, first atom 1068 (710355 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1074 (201409 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 1050 (151108 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1069 (106743 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1066 (140065 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1307 (106477 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1069 (125561 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1069 (599232 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1069 (130749 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1052 (107008 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1061 (191178 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1066 (133084 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1066 (104262 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1070 (124954 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 41, first atom 1070 (458160 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1074 (1341489 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1070 (212857 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1069 (120895 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1076 (178164 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1070 (115911 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1055 (115682 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1076 (241210 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1076 (247954 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1076 (157215 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1056 (123077 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1076 (109622 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1070 (128744 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1072 (116574 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.59 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5799 / 5919 solvent mols in 380 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42041 ms
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 1065 (291852 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1065 (129566 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1784 (109238 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1072 (174132 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 14, first atom 1784 (132539 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 15, first atom 1072 (114834 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 394 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41840 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 339 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39218 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1422 (113896 -> 100000)
+Warn: 185 atom(s) hit accel clamp on step 1, first atom 59 (600123 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 2, first atom 60 (280641 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 3, first atom 60 (264447 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 4, first atom 60 (181548 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 5, first atom 1071 (114745 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 6, first atom 1031 (109126 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 7, first atom 88 (128396 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 8, first atom 1080 (136690 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 9, first atom 1071 (132894 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 10, first atom 81 (371514 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 11, first atom 1061 (144448 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 12, first atom 1081 (203263 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 13, first atom 1080 (157050 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 14, first atom 1080 (126574 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1010 (1528273 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 16, first atom 1010 (112313 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1011 (144129 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 18, first atom 1010 (107582 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 19, first atom 1011 (122023 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 20, first atom 1070 (155499 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 21, first atom 1010 (116933 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 87 (174247 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1072 (354926 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 74 (132999 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1069 (135342 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1076 (139268 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1070 (115899 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1077 (225049 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1074 (220840 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 1068 (163789 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1044 (144272 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1076 (115793 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1081 (149813 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1076 (136922 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1086 (103277 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1075 (121565 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1076 (124408 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1312 (117251 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1076 (133548 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1077 (100048 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1077 (391534 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1076 (106360 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1077 (393572 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1076 (180267 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1072 (123074 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1081 (173964 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1073 (148742 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1078 (252862 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1078 (261629 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1081 (131393 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1078 (123447 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1078 (174792 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1076 (106177 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1079 (104519 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1077 (101812 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1076 (108671 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1076 (221024 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1076 (112079 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1422 (145426 -> 100000)
+Warn: 186 atom(s) hit accel clamp on step 1, first atom 59 (604939 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 2, first atom 60 (279974 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 3, first atom 60 (266262 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 4, first atom 60 (192908 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 5, first atom 89 (122826 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 6, first atom 1031 (110932 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 7, first atom 1010 (155867 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 8, first atom 1080 (121977 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 9, first atom 1081 (100899 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 10, first atom 81 (378040 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 11, first atom 1061 (193858 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 12, first atom 1081 (218874 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 13, first atom 1077 (857377 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 1068 (114304 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 15, first atom 1010 (594130 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 1063 (142281 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1293 (105191 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1072 (105813 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1073 (200909 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1011 (104000 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 1076 (179758 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1071 (210591 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1076 (245734 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 1071 (109347 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 25, first atom 1063 (117528 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1071 (133835 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1072 (174100 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1059 (170509 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1072 (127535 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1068 (106550 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1071 (305351 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1072 (272936 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 1069 (107101 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1066 (140137 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1071 (104810 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1206 (105120 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1072 (929504 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 85 (115359 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1072 (140765 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1076 (130505 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1073 (115856 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1071 (101250 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1077 (148593 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1072 (159622 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1904 (112099 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1066 (177231 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1072 (272546 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1073 (128388 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1080 (251250 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1073 (205772 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 54, first atom 1072 (190954 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1076 (203448 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1082 (147754 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1076 (134556 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1076 (141596 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 61, first atom 1076 (223342 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1076 (132940 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1077 (106336 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1076 (110847 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1064 (104541 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1078 (114584 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1082 (129386 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.58 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5799 / 5918 solvent mols in 337 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41978 ms
+Warn: 12 atom(s) hit accel clamp on step 0, first atom 1049 (135987 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 1, first atom 1067 (320194 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1356 (109476 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1859 (448328 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1859 (141203 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.56 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 346 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41747 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.56 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 340 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40731 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1421 (302037 -> 100000)
+Warn: 193 atom(s) hit accel clamp on step 1, first atom 59 (605597 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 2, first atom 60 (280555 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 3, first atom 60 (266249 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 4, first atom 60 (190191 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 5, first atom 89 (131621 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 6, first atom 1046 (194648 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 7, first atom 1006 (152246 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 8, first atom 1006 (107975 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 9, first atom 1105 (128720 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 10, first atom 81 (301285 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 11, first atom 1059 (135466 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 12, first atom 1069 (174267 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 13, first atom 1088 (126593 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 1069 (114735 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 15, first atom 1008 (107154 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 16, first atom 1061 (136252 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1070 (310106 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 18, first atom 1009 (115459 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1070 (140734 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 20, first atom 1009 (104411 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 21, first atom 1070 (250828 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1074 (161353 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 23, first atom 88 (180188 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 1068 (1240800 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 25, first atom 1021 (138714 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1067 (122229 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1074 (122660 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 28, first atom 1070 (920806 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1068 (136795 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 1068 (166432 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1069 (385780 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1046 (132826 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 33, first atom 1069 (1745608 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 34, first atom 1061 (107933 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1069 (104986 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1070 (563665 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 37, first atom 1057 (127077 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1061 (190667 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1062 (390321 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1069 (120905 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 41, first atom 1074 (1592858 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1070 (1375608 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 43, first atom 1057 (146260 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 44, first atom 1069 (107790 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1069 (119016 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 47, first atom 1071 (214869 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1071 (173384 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1065 (116651 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1069 (110206 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1070 (2081933 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1070 (358586 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1075 (150604 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1080 (115080 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1310 (115653 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1075 (129318 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1075 (115415 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1075 (138403 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1074 (111286 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1079 (178042 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1070 (103145 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1326 (155925 -> 100000)
+Warn: 189 atom(s) hit accel clamp on step 1, first atom 59 (607818 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 2, first atom 60 (281101 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 3, first atom 60 (259735 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 4, first atom 60 (199346 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 5, first atom 1074 (1438136 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 6, first atom 1044 (100172 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 1006 (159850 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 8, first atom 1006 (111159 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 9, first atom 1105 (121459 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 10, first atom 81 (318917 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 11, first atom 1044 (134518 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 12, first atom 1069 (124127 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 13, first atom 1189 (121730 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 1075 (124805 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 15, first atom 1068 (126893 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 1070 (266184 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 17, first atom 1070 (389515 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 18, first atom 1009 (163310 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 1068 (247725 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 20, first atom 1069 (100292 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 21, first atom 1055 (135866 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1073 (124667 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1074 (584169 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 24, first atom 1068 (210561 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 25, first atom 1021 (127739 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1069 (112866 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1131 (103123 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 28, first atom 1068 (105348 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1068 (101688 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 30, first atom 1068 (128102 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1069 (134963 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1046 (150425 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1074 (104255 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1074 (163940 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1075 (143183 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1069 (123107 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1132 (124733 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1079 (224438 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1075 (228955 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1072 (280643 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1072 (122269 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1072 (126121 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1070 (570948 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1070 (142458 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1074 (116535 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1070 (176121 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1073 (100836 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1073 (104208 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1310 (133921 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1904 (165916 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1069 (102148 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1069 (144874 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1069 (102425 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1069 (222304 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1069 (189983 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1069 (114168 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1069 (113291 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1069 (124341 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1069 (145848 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.59 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5799 / 5919 solvent mols in 346 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41799 ms
+Warn: 11 atom(s) hit accel clamp on step 0, first atom 1065 (2431464 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1065 (268406 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 3, first atom 1065 (118197 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1072 (182678 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1072 (372960 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1072 (100957 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 15, first atom 1784 (114286 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1072 (102652 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 341 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40695 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 382 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42158 ms
+Warn: 189 atom(s) hit accel clamp on step 1, first atom 59 (603945 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 2, first atom 60 (281971 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 3, first atom 60 (266119 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 4, first atom 60 (190557 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 5, first atom 89 (121093 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 6, first atom 1028 (112734 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 7, first atom 1005 (115834 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 8, first atom 1005 (123043 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 9, first atom 81 (116974 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 10, first atom 81 (104627 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 11, first atom 1058 (182070 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 12, first atom 1189 (147016 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 13, first atom 1068 (106105 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 1065 (111764 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 15, first atom 1007 (122894 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 1060 (128189 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 17, first atom 1290 (140787 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1007 (143320 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 1068 (136857 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1067 (149854 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 21, first atom 1007 (108725 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1235 (165470 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 88 (116241 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1073 (845931 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 25, first atom 1020 (130250 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1066 (173275 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1068 (119230 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1045 (197529 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1073 (201129 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1067 (154342 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1066 (122512 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1083 (137154 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1045 (131194 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1072 (212162 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1042 (134571 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1073 (138914 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1071 (150548 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1083 (111995 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1072 (227108 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1072 (139332 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1074 (264270 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1071 (159614 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1078 (101861 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1071 (101976 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1072 (170184 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1073 (121889 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1104 (104440 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1073 (128033 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1069 (520125 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1069 (111928 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1339 (182484 -> 100000)
+Warn: 187 atom(s) hit accel clamp on step 1, first atom 59 (609386 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 2, first atom 60 (281887 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 3, first atom 60 (237355 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 4, first atom 60 (183003 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 5, first atom 1050 (103732 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 6, first atom 1048 (190254 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 7, first atom 1008 (116306 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 8, first atom 1008 (111939 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 9, first atom 1133 (1257648 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 10, first atom 81 (172623 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 11, first atom 1061 (156656 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 1071 (101813 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 13, first atom 1054 (107204 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 14, first atom 1068 (102306 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 15, first atom 1008 (127497 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 1072 (1570846 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1063 (116122 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 18, first atom 1011 (102459 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 19, first atom 1072 (294894 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1011 (105922 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1008 (119916 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1076 (307325 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1071 (302000 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 24, first atom 1031 (119757 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 25, first atom 1069 (137670 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1076 (113068 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1076 (269683 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1048 (150274 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1070 (142300 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1071 (110787 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1076 (184856 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1048 (136436 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1071 (372984 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1045 (234861 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1059 (238351 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1107 (214171 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1107 (122298 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1107 (102225 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1136 (171016 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1107 (112412 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1107 (120808 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1076 (189686 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1076 (175028 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1080 (104858 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1076 (107482 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1073 (119154 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1057 (139032 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1076 (189705 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1072 (123360 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1057 (124496 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1057 (139643 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1066 (139931 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1072 (130859 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1076 (109515 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1339 (187614 -> 100000)
+Warn: 190 atom(s) hit accel clamp on step 1, first atom 59 (602198 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 2, first atom 60 (280916 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 3, first atom 60 (219720 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 4, first atom 60 (182998 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 5, first atom 89 (128224 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 6, first atom 93 (112494 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 7, first atom 1010 (135164 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 8, first atom 1008 (110681 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 9, first atom 1071 (115660 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 10, first atom 81 (299965 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 11, first atom 1061 (198213 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 12, first atom 1192 (181566 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 13, first atom 1075 (105676 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 1068 (120599 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 15, first atom 1008 (129770 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 16, first atom 1072 (107043 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 17, first atom 1063 (100939 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 18, first atom 84 (103602 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 19, first atom 1071 (128450 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 20, first atom 1011 (124830 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 21, first atom 74 (125207 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1071 (115882 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1075 (121735 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1072 (132910 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1069 (106337 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1069 (119914 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1070 (210086 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1072 (303424 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1048 (112861 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1086 (100740 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1069 (180913 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 84 (103144 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1070 (154322 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1059 (486628 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 36, first atom 1070 (106764 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1048 (240265 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1076 (150085 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1068 (170374 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1077 (363640 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1074 (253087 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1081 (134418 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1072 (139070 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1087 (100889 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1074 (231752 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1072 (191989 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1071 (277908 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1071 (233942 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1071 (233329 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1071 (140043 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1071 (112149 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1072 (164752 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1071 (124772 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1080 (114537 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1071 (113530 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1076 (190936 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1884 (111513 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1076 (132216 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1076 (124090 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1076 (144633 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1064 (133208 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1073 (122372 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1149 (195827 -> 100000)
+Warn: 191 atom(s) hit accel clamp on step 9, first atom 59 (591030 -> 100000)
+Warn: 90 atom(s) hit accel clamp on step 10, first atom 60 (272944 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 11, first atom 60 (271508 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 12, first atom 60 (172760 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 13, first atom 1049 (101269 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 14, first atom 57 (116344 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 15, first atom 1062 (156889 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 16, first atom 231 (110687 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 17, first atom 1070 (263640 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 18, first atom 81 (111656 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 19, first atom 1076 (194969 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 20, first atom 1074 (131661 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 21, first atom 1089 (119555 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1071 (122556 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 24, first atom 1074 (136536 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 25, first atom 1062 (195835 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 26, first atom 1056 (112024 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 27, first atom 1052 (107569 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 28, first atom 1056 (185800 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1071 (107363 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 30, first atom 1069 (304738 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1027 (133354 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 32, first atom 1056 (217661 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 33, first atom 1068 (123192 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 34, first atom 1068 (125341 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 36, first atom 1074 (257203 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1303 (157866 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 38, first atom 1074 (339360 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1070 (136605 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1070 (324480 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 41, first atom 1309 (214243 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 42, first atom 1070 (278922 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 43, first atom 1063 (285252 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1282 (109078 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1062 (121625 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1047 (121242 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1062 (134205 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1063 (322968 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1071 (144901 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1071 (249432 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1071 (119556 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 54, first atom 1071 (157414 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1280 (103625 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1070 (256625 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1070 (157246 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1070 (111580 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1072 (136743 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1072 (110681 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1202 (158995 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1057 (156595 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1075 (124686 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1333 (103254 -> 100000)
+Warn: 192 atom(s) hit accel clamp on step 1, first atom 59 (600073 -> 100000)
+Warn: 73 atom(s) hit accel clamp on step 2, first atom 60 (280194 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 3, first atom 60 (265991 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 4, first atom 60 (178978 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 5, first atom 89 (118219 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 6, first atom 1048 (212813 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 7, first atom 1010 (132587 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 8, first atom 1008 (103375 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 9, first atom 1133 (1653168 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 10, first atom 81 (342478 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 11, first atom 1061 (188177 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 12, first atom 1071 (159310 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 13, first atom 1075 (103920 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 1009 (102111 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1010 (313775 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 1063 (109658 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1063 (126188 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1011 (154208 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 1072 (134380 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1070 (149603 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1238 (549908 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1075 (132183 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1076 (107341 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1069 (192625 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1070 (114224 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1064 (121571 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1076 (301027 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1048 (230631 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1076 (254857 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1070 (160695 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1068 (130248 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1285 (162890 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 84 (113914 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1076 (173683 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1048 (121089 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1059 (153663 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1063 (126839 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1077 (118454 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1068 (190268 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1072 (135799 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1075 (111085 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1076 (204496 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1076 (112103 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1075 (209663 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1075 (259326 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1077 (167218 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1073 (941695 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1073 (267722 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.59 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5799 / 5919 solvent mols in 342 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40168 ms
+Warn: 11 atom(s) hit accel clamp on step 0, first atom 1062 (116119 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1064 (298359 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1064 (168455 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1071 (108633 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1071 (105796 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1071 (363943 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1071 (154762 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 17, first atom 1071 (120797 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 351 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40688 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.55 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5917 solvent mols in 344 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41899 ms
+Warn: 13 atom(s) hit accel clamp on step 0, first atom 1047 (127768 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1066 (914840 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1066 (125259 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 14, first atom 1073 (123966 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 341 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40019 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 351 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42164 ms
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1338 (131518 -> 100000)
+Warn: 184 atom(s) hit accel clamp on step 1, first atom 59 (604176 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 2, first atom 60 (280198 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 3, first atom 60 (264699 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 4, first atom 60 (200098 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 5, first atom 1071 (135551 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 6, first atom 1030 (104766 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 7, first atom 1009 (176439 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 8, first atom 1079 (150994 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 9, first atom 1070 (200331 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 10, first atom 81 (103289 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 11, first atom 1060 (177044 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 1191 (191799 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 13, first atom 1191 (186125 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 14, first atom 1076 (402041 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1009 (1325052 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 1007 (154876 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1205 (114266 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 18, first atom 1009 (121453 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1070 (123655 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1070 (124731 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 21, first atom 1070 (809994 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 22, first atom 1009 (179118 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1071 (228356 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1069 (139907 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 25, first atom 1030 (100751 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 26, first atom 1007 (138633 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 1051 (133477 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1071 (155433 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1075 (231782 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1069 (102685 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1067 (120630 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1069 (208165 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1071 (125571 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1069 (158096 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1067 (125688 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 36, first atom 1070 (654635 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 37, first atom 1070 (750692 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1070 (137953 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 85 (152016 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 85 (106492 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1071 (1160288 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 42, first atom 85 (247683 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1076 (104829 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1094 (292580 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1073 (112144 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1071 (171159 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 47, first atom 1071 (333281 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1075 (118914 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1076 (167120 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1062 (135295 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1075 (401233 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 56, first atom 1070 (1228398 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1070 (750984 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1073 (119015 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 59, first atom 1075 (140167 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1080 (168046 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1080 (608535 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1073 (107491 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1066 (106128 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1072 (338886 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1072 (112055 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 69, first atom 1074 (113751 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1075 (773962 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1075 (532499 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 72, first atom 1070 (155561 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1076 (203408 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1075 (335694 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 75, first atom 1075 (115074 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1073 (105569 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1075 (143349 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1070 (132998 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1075 (169058 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1075 (115892 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1106 (102115 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 88, first atom 1071 (158817 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 92, first atom 1071 (139416 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1073 (108055 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1076 (227121 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 97, first atom 1073 (156024 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 103, first atom 1063 (109288 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1338 (128309 -> 100000)
+Warn: 185 atom(s) hit accel clamp on step 1, first atom 59 (602491 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 2, first atom 60 (282819 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 3, first atom 60 (266082 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 4, first atom 60 (187904 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 5, first atom 1070 (151716 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 6, first atom 1030 (105135 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 7, first atom 1009 (205034 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 8, first atom 1079 (122999 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 9, first atom 1070 (191042 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 10, first atom 81 (335732 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 11, first atom 1060 (135177 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 12, first atom 1070 (150083 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 13, first atom 1071 (115426 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 1067 (112606 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1007 (108929 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 1007 (120852 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1010 (104444 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1075 (387307 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1072 (316300 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 1010 (131244 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1008 (229845 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1075 (1235937 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1070 (278244 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 74 (133150 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 25, first atom 1022 (177151 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 26, first atom 1062 (112983 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1051 (102434 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1070 (568576 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1070 (587268 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1067 (157592 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1069 (112621 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1069 (107014 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1071 (449992 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1074 (148536 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1066 (116758 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1075 (113515 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1062 (142662 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1067 (152434 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1080 (178787 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 41, first atom 1072 (167585 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1075 (146981 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1058 (251934 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1073 (145875 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1065 (107851 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 47, first atom 1048 (109364 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1077 (135145 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1078 (122756 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1128 (103294 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1075 (689618 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1073 (210949 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1073 (112899 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1076 (212138 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1080 (105546 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1072 (167079 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1073 (100789 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1073 (102214 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1075 (128284 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1075 (315146 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1075 (238055 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1075 (105952 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 92, first atom 1076 (111776 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1148 (149312 -> 100000)
+Warn: 189 atom(s) hit accel clamp on step 15, first atom 59 (497964 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 16, first atom 60 (277205 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 17, first atom 60 (185272 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 18, first atom 69 (167222 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 19, first atom 66 (128198 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 20, first atom 1069 (391235 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 21, first atom 1044 (152221 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 22, first atom 1084 (105831 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 23, first atom 1073 (153554 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 24, first atom 1073 (120725 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 25, first atom 1059 (213041 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 26, first atom 1075 (112677 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 27, first atom 1059 (130776 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 28, first atom 1067 (100237 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1075 (104399 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 30, first atom 1059 (103821 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 31, first atom 1055 (104096 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1066 (125242 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1232 (103077 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1068 (298684 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 35, first atom 1232 (113945 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 36, first atom 1051 (127459 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1079 (723018 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 38, first atom 1280 (341808 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 39, first atom 1042 (125580 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1072 (369444 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1344 (151957 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 42, first atom 1055 (104395 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1079 (182290 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1895 (126198 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1062 (163851 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 46, first atom 1068 (890976 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 47, first atom 1046 (113720 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1288 (108667 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 49, first atom 1073 (200658 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1376 (120371 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1376 (145708 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1067 (100092 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1287 (124215 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1071 (124513 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1069 (114767 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1070 (133627 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1072 (178039 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1083 (120634 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1074 (107417 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1069 (122678 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1074 (118166 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1069 (173745 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1279 (100208 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1072 (152287 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1418 (112501 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1338 (109539 -> 100000)
+Warn: 189 atom(s) hit accel clamp on step 1, first atom 59 (604848 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 2, first atom 60 (282390 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 3, first atom 60 (232832 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 4, first atom 60 (185436 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 5, first atom 89 (126201 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 6, first atom 1030 (107143 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 7, first atom 88 (106250 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 8, first atom 1079 (158392 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 9, first atom 1070 (124501 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 10, first atom 81 (369374 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 11, first atom 81 (132191 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 1079 (212807 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 1089 (114428 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 14, first atom 1008 (159954 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 1009 (697086 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 16, first atom 1007 (141596 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1071 (123739 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 18, first atom 1071 (100292 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 1072 (128818 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1010 (120067 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 1075 (528351 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 22, first atom 1075 (159142 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 23, first atom 1070 (2088976 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 24, first atom 76 (152496 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1030 (107146 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1063 (138047 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 1051 (114518 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1010 (125270 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 29, first atom 1067 (129761 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1067 (103677 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1069 (164755 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1074 (507241 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1094 (133075 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1779 (100573 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1071 (197986 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1071 (247860 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1405 (102215 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1071 (130943 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1067 (147918 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1063 (180571 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1405 (114343 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1076 (108749 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1070 (147212 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 84 (123939 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1076 (226868 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1073 (123786 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1076 (103471 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1076 (135062 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1079 (117142 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1076 (531572 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1067 (123978 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1075 (166685 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1075 (135139 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1074 (299387 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 55, first atom 1071 (206647 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 56, first atom 1074 (234748 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1071 (130218 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1071 (160051 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1066 (100512 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1076 (1188144 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1078 (237549 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1078 (254311 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1078 (105903 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1080 (112545 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 77, first atom 1070 (111092 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1077 (110210 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1073 (120263 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1070 (175068 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1070 (110159 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.59 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5799 / 5919 solvent mols in 341 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42227 ms
+Warn: 11 atom(s) hit accel clamp on step 0, first atom 1066 (594019 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1073 (963665 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1856 (133296 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1782 (115736 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 337 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41386 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5918 solvent mols in 948 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40694 ms
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1150 (198873 -> 100000)
+Warn: 192 atom(s) hit accel clamp on step 7, first atom 59 (550511 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 8, first atom 60 (266051 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 9, first atom 60 (270702 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 10, first atom 60 (256541 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 11, first atom 66 (110919 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 12, first atom 57 (153913 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 13, first atom 1046 (142952 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 14, first atom 1063 (138079 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 15, first atom 1063 (166706 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 16, first atom 81 (337274 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 17, first atom 1033 (179872 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 18, first atom 1069 (437557 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 19, first atom 1071 (219544 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 20, first atom 1033 (123542 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 21, first atom 1063 (250630 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 22, first atom 1063 (679395 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 23, first atom 1064 (171230 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 1035 (377873 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 25, first atom 1035 (224139 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 26, first atom 1018 (103702 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 1061 (108578 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1061 (111087 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1196 (136090 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 30, first atom 1071 (100749 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1071 (103150 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1196 (146515 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1196 (139818 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 34, first atom 1076 (104229 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1095 (212056 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1076 (104554 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 37, first atom 1058 (160253 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1202 (136025 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 39, first atom 1069 (109049 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1072 (205463 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1064 (103812 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1064 (117843 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1212 (140727 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1072 (133067 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1073 (141508 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1419 (161207 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1419 (263445 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1415 (258656 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1072 (127544 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1074 (115936 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1355 (118081 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1074 (113932 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1074 (221823 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1077 (107635 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1429 (135126 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1897 (111366 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1416 (201813 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1419 (156263 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1071 (109916 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1419 (212512 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1071 (100042 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 73, first atom 1071 (125452 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1072 (107141 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 101, first atom 1420 (137985 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.57 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5799 / 5918 solvent mols in 353 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41341 ms
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 1067 (4196472 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1067 (472813 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1067 (228042 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1067 (230766 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1074 (164898 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 14, first atom 1074 (143342 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.54 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5917 solvent mols in 402 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41503 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.54 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5917 solvent mols in 340 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39801 ms
+Warn: 38 atom(s) hit accel clamp on step 0, first atom 1008 (101864 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 1, first atom 1068 (163471 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1335 (444415 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 3, first atom 1335 (314748 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1331 (109482 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 6, first atom 1075 (114189 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1331 (104279 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1800 (100787 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.54 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5802 / 5917 solvent mols in 357 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42311 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1046 (159284 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1046 (110408 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1047 (141483 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1047 (131345 -> 100000)
+Warn: 182 atom(s) hit accel clamp on step 5, first atom 59 (574520 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 6, first atom 60 (269069 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 7, first atom 60 (267080 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 8, first atom 60 (255458 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 9, first atom 66 (100456 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 10, first atom 59 (199840 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 11, first atom 88 (120610 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 12, first atom 1072 (141667 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 13, first atom 1075 (157637 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 14, first atom 81 (186246 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 15, first atom 1058 (238205 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 16, first atom 1092 (125062 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 17, first atom 471 (147871 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 18, first atom 1069 (493649 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 1069 (312672 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1127 (140341 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 21, first atom 1069 (263722 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 22, first atom 1069 (144430 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 23, first atom 1071 (111499 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 24, first atom 1074 (1032731 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 25, first atom 1065 (143591 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 26, first atom 1071 (400386 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 27, first atom 1065 (173826 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 28, first atom 1056 (112133 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 29, first atom 1054 (109636 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1067 (148351 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1073 (1056282 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 32, first atom 1073 (284835 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 33, first atom 1067 (181946 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1069 (119059 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1117 (104230 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1416 (236541 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 37, first atom 1074 (182449 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 38, first atom 1073 (162494 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1411 (141454 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 1030 (176166 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 41, first atom 1064 (509868 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1064 (507717 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1064 (137452 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1060 (109161 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 45, first atom 1061 (187450 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 46, first atom 77 (111685 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1061 (129449 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 48, first atom 1061 (100189 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1068 (120210 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1418 (134715 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1394 (113888 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1057 (108346 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1421 (114622 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1411 (137953 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1421 (100873 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1400 (103919 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1415 (164842 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1077 (200880 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1080 (113149 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1401 (130799 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1401 (162680 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1070 (493812 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 79, first atom 1070 (120744 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1412 (191062 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1079 (106221 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1070 (100542 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1079 (137230 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1070 (109295 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1079 (120048 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.69 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5803 / 5922 solvent mols in 356 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42821 ms
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 1045 (135897 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1064 (170402 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1046 (166307 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1046 (141770 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1071 (164053 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.67 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5806 / 5921 solvent mols in 387 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42107 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.67 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5806 / 5921 solvent mols in 340 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41795 ms
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 1047 (108589 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1083 (130949 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1047 (119629 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1047 (121282 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 7, first atom 1065 (126852 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.67 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5806 / 5921 solvent mols in 339 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40535 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.67 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5806 / 5921 solvent mols in 386 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41973 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.67 Cell vol: 202.21 (ų / 1,000). Dims: 61.537834:.2 x 53.87 x 61.00 Å
+Added 5806 / 5921 solvent mols in 340 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40368 ms
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1125 (216696 -> 100000)
+Warn: 193 atom(s) hit accel clamp on step 1, first atom 59 (606070 -> 100000)
+Warn: 83 atom(s) hit accel clamp on step 2, first atom 60 (267041 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 3, first atom 60 (266495 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 4, first atom 60 (253515 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 5, first atom 69 (118865 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 6, first atom 66 (102918 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 7, first atom 1013 (199241 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 8, first atom 1083 (117818 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 1077 (113081 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 10, first atom 81 (381346 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 11, first atom 1084 (207566 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 1078 (111340 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 13, first atom 1080 (473495 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 14, first atom 1080 (124470 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 15, first atom 81 (112509 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 16, first atom 1011 (103331 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 1078 (174641 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 18, first atom 1014 (121191 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1079 (291420 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 20, first atom 1014 (146852 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 21, first atom 1067 (107872 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 22, first atom 1071 (206589 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 23, first atom 1038 (166394 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 24, first atom 1072 (129549 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 25, first atom 1034 (120101 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 26, first atom 1072 (115053 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 27, first atom 85 (152855 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 28, first atom 1056 (133741 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1084 (127387 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1056 (100767 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1416 (182264 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1416 (190772 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1351 (178096 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 1078 (139683 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1351 (124107 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 36, first atom 1057 (276058 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 37, first atom 1351 (191374 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1060 (146346 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 39, first atom 1057 (543010 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 1077 (524946 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1074 (285582 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1067 (171280 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1074 (213564 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1074 (116684 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1074 (345612 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1074 (118479 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 47, first atom 1074 (157926 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1450 (146070 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1074 (389361 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1057 (130402 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1865 (143061 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1066 (156005 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1074 (116856 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1865 (130317 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1074 (101454 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1417 (116870 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1057 (117947 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1065 (106390 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1419 (158736 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1422 (106438 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1079 (113925 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1079 (168472 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1079 (101808 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1079 (133759 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1079 (176353 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1079 (142922 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1079 (101279 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 98, first atom 1406 (240191 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1416 (131729 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 101, first atom 1416 (123079 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1332 (123116 -> 100000)
+Warn: 189 atom(s) hit accel clamp on step 7, first atom 59 (566775 -> 100000)
+Warn: 79 atom(s) hit accel clamp on step 8, first atom 60 (252937 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 9, first atom 60 (271169 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 10, first atom 60 (187058 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 11, first atom 1010 (200678 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 12, first atom 1046 (111573 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 13, first atom 1014 (151294 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 14, first atom 1069 (158174 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 15, first atom 1031 (219015 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 16, first atom 81 (227119 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 17, first atom 1069 (464293 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 18, first atom 1055 (231966 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 19, first atom 1055 (101643 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 1055 (184145 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 1093 (117731 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 22, first atom 1070 (378200 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 23, first atom 1055 (106246 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 1073 (347866 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 25, first atom 77 (102036 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1073 (147568 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 27, first atom 1073 (108546 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 28, first atom 1055 (108871 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1033 (106583 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1073 (122963 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1218 (206309 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1060 (158977 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1069 (490799 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 1069 (236202 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1048 (105399 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1392 (110051 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1073 (159506 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1200 (170411 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 40, first atom 1051 (120764 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1417 (101398 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1075 (160008 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1061 (124775 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1051 (163572 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1069 (119307 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1069 (130126 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 51, first atom 1069 (109836 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 53, first atom 1069 (133777 -> 100000)
+=== [n45000] 8d8f RL done  Thu Aug 20 01:04:11 CST 2026 ===
+=== [n45000] 1jvt RL start Thu Aug 20 01:04:11 CST 2026 ===
+Initializing solvent molecules...
+Solvent-free vol: 177.95 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5745 / 5931 solvent mols in 363 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40069 ms
+Warn: 17 atom(s) hit accel clamp on step 0, first atom 980 (132297 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1156 (105895 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1521 (314685 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1522 (641984 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1028 (110318 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1522 (111827 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1521 (270733 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.95 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5745 / 5931 solvent mols in 331 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 38815 ms
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 980 (109356 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1028 (122965 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1522 (107345 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1028 (111139 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.23 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5748 / 5873 solvent mols in 329 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 38106 ms
+Warn: 11 atom(s) hit accel clamp on step 0, first atom 1006 (169117 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1125 (142609 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1019 (102311 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1273 (106622 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1027 (159424 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.95 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5745 / 5931 solvent mols in 328 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 38610 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.95 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5745 / 5931 solvent mols in 326 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40619 ms
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1078 (2195371 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1078 (118712 -> 100000)
+Warn: 176 atom(s) hit accel clamp on step 2, first atom 79 (170396 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 3, first atom 956 (142263 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 4, first atom 982 (115792 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 5, first atom 982 (108257 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 6, first atom 846 (125796 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 7, first atom 1030 (190583 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 8, first atom 1054 (105344 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 9, first atom 956 (125597 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 10, first atom 1279 (238294 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 11, first atom 1054 (142412 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 1128 (119243 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 13, first atom 1049 (148754 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 14, first atom 1256 (108676 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 15, first atom 949 (291631 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 16, first atom 1391 (191421 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 17, first atom 1391 (232347 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1391 (170720 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 1282 (224040 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1021 (100395 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 949 (170706 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 25, first atom 1037 (145985 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1687 (106231 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1279 (228888 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1452 (184007 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1572 (101251 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1038 (100163 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1144 (107527 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1144 (103804 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1391 (126142 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1570 (139465 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1391 (128294 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1077 (1306937 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 1, first atom 1114 (135531 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 2, first atom 1114 (111606 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1661 (250072 -> 100000)
+Warn: 172 atom(s) hit accel clamp on step 5, first atom 79 (176999 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 6, first atom 955 (156812 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 7, first atom 981 (121400 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 8, first atom 993 (103142 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 9, first atom 1029 (399524 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 10, first atom 1029 (303366 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 11, first atom 1118 (109277 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 12, first atom 959 (127388 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 13, first atom 1114 (124189 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 1053 (134956 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 15, first atom 1114 (249192 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 16, first atom 1053 (118459 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 1030 (173670 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1395 (106690 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 1395 (184287 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1029 (137455 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 21, first atom 1395 (131587 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1430 (130548 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1457 (110480 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1421 (191139 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1132 (102502 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1509 (110503 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1030 (197696 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1475 (108038 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1695 (137009 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1132 (109471 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1574 (168714 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1702 (120446 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1692 (228039 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1443 (107816 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1702 (155642 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1449 (172450 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1475 (108846 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 993 (108510 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1475 (128422 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1296 (129998 -> 100000)
+Warn: 176 atom(s) hit accel clamp on step 1, first atom 79 (159652 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 2, first atom 955 (137382 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 3, first atom 981 (113178 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 4, first atom 949 (106274 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 5, first atom 845 (161335 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 6, first atom 1020 (104023 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 7, first atom 1116 (148479 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 8, first atom 1283 (188083 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 9, first atom 956 (181457 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 10, first atom 956 (163500 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 11, first atom 1281 (154330 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 12, first atom 956 (193678 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 13, first atom 1258 (104929 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 14, first atom 1122 (120862 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 1258 (109592 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1393 (248712 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 951 (119414 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 18, first atom 950 (114225 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 951 (134643 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 20, first atom 1031 (105186 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 1674 (122926 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1391 (111806 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1030 (153285 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1087 (126221 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 956 (133010 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1421 (106398 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1532 (175058 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1532 (213930 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1719 (120534 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1393 (109430 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1478 (117090 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1078 (1632960 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1294 (339732 -> 100000)
+Warn: 176 atom(s) hit accel clamp on step 2, first atom 79 (164581 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 3, first atom 956 (116881 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 4, first atom 982 (115862 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 5, first atom 1030 (291249 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 6, first atom 846 (118686 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 7, first atom 1030 (199423 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 8, first atom 1054 (105907 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 9, first atom 960 (107027 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 10, first atom 950 (109054 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 11, first atom 957 (102012 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 1279 (106296 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 13, first atom 1049 (148403 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 14, first atom 1255 (100489 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 15, first atom 949 (328509 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 1391 (287210 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1391 (164191 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1391 (150780 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 19, first atom 957 (102258 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1021 (107319 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1401 (120670 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1400 (104922 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1031 (173012 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1451 (108309 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1002 (154796 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1001 (223250 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1391 (134075 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1452 (208272 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1452 (126702 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1137 (119912 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1452 (105210 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1529 (110164 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1144 (111408 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 994 (100383 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1077 (881609 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 1, first atom 1114 (128003 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1114 (106469 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1661 (151496 -> 100000)
+Warn: 169 atom(s) hit accel clamp on step 6, first atom 79 (178375 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 7, first atom 955 (151404 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 8, first atom 981 (133894 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 9, first atom 1029 (275229 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 10, first atom 1029 (319080 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 11, first atom 1029 (307074 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 12, first atom 1114 (278152 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 13, first atom 956 (114404 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 14, first atom 1132 (179228 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 1132 (173503 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 1036 (142275 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 1299 (103130 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 1030 (158837 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 1048 (116769 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 1404 (129453 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 1029 (131398 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1534 (129587 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1638 (191690 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1412 (100538 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1732 (158830 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1534 (228110 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1331 (107288 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1001 (103202 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1029 (104039 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1037 (112346 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1653 (104705 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1036 (106407 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1029 (116615 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1029 (113267 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1684 (101945 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.22 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5749 / 5873 solvent mols in 349 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40806 ms
+Warn: 13 atom(s) hit accel clamp on step 0, first atom 1008 (117211 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1126 (103472 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1021 (101272 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1029 (147820 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1029 (128486 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.94 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5745 / 5930 solvent mols in 335 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40751 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.94 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5745 / 5930 solvent mols in 328 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 38785 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1295 (156775 -> 100000)
+Warn: 181 atom(s) hit accel clamp on step 1, first atom 79 (164415 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 2, first atom 625 (110361 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 3, first atom 982 (113247 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 4, first atom 957 (128936 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 5, first atom 956 (134125 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 6, first atom 1021 (106409 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 7, first atom 950 (188935 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 8, first atom 1281 (237887 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 9, first atom 957 (143859 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 10, first atom 957 (129885 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 11, first atom 1174 (104382 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 12, first atom 957 (192431 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 13, first atom 1351 (147724 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 950 (370470 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 15, first atom 1391 (188396 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 952 (152702 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 17, first atom 949 (184272 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 18, first atom 1214 (115439 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 19, first atom 1542 (102955 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 1214 (120204 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 1521 (160998 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1037 (110337 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1403 (104430 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1568 (114339 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1717 (150143 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1577 (208498 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1128 (100113 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1717 (110010 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1717 (110988 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1717 (126278 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1717 (129974 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1406 (198793 -> 100000)
+Warn: 184 atom(s) hit accel clamp on step 1, first atom 79 (164661 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 2, first atom 955 (127422 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 3, first atom 771 (131000 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 4, first atom 956 (124506 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 5, first atom 955 (130788 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 6, first atom 153 (106244 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 949 (209140 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 8, first atom 959 (141707 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 9, first atom 956 (234729 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 10, first atom 956 (206982 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 11, first atom 1278 (318255 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 956 (127466 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 13, first atom 1020 (101866 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 949 (393891 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 15, first atom 1044 (239082 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 16, first atom 951 (217382 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1075 (139342 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 18, first atom 951 (125179 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 1278 (146804 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1075 (110758 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 949 (113568 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1648 (134174 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1075 (107802 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 948 (114492 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 25, first atom 1036 (119689 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1571 (111371 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1515 (192609 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1044 (107155 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1446 (140688 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1446 (102291 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1088 (148837 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1711 (129253 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1711 (117626 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1521 (137527 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1563 (103117 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1446 (110958 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1521 (181231 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1515 (104506 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1515 (131609 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1515 (104662 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1044 (110959 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1711 (102945 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1711 (106690 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1727 (181446 -> 100000)
+Warn: 176 atom(s) hit accel clamp on step 14, first atom 79 (234368 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 15, first atom 979 (102132 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 16, first atom 124 (173293 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 17, first atom 484 (111343 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 18, first atom 1032 (441235 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 19, first atom 153 (109625 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 20, first atom 1022 (108485 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 21, first atom 1032 (122125 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 22, first atom 1064 (137144 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 23, first atom 1061 (114603 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 24, first atom 1177 (207531 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 25, first atom 1083 (303175 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 26, first atom 1061 (104135 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 1032 (147512 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 28, first atom 1032 (109445 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1252 (343614 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 1032 (122628 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 31, first atom 1062 (490617 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 32, first atom 1049 (107118 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 33, first atom 1068 (131483 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 1473 (134157 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1049 (106622 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1281 (101540 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 37, first atom 1039 (117153 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1268 (145905 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1681 (208000 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1072 (110263 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1393 (104203 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1532 (103078 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1393 (101128 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1658 (182597 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1657 (102369 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1068 (112547 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1068 (118815 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1665 (105284 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1062 (228936 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1394 (104512 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1139 (124093 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1665 (106560 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1665 (136513 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1504 (110113 -> 100000)
+Warn: 179 atom(s) hit accel clamp on step 6, first atom 79 (261819 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 7, first atom 955 (145721 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 8, first atom 981 (142653 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 9, first atom 955 (105315 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 10, first atom 1029 (411807 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 11, first atom 1029 (140585 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 12, first atom 1070 (161966 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 959 (138700 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 14, first atom 1061 (117312 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 15, first atom 1053 (135529 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 1079 (127074 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 17, first atom 1029 (197314 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 18, first atom 1029 (189001 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1048 (135523 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1390 (235449 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 1029 (227484 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1390 (125940 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1029 (115702 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 1030 (176782 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1021 (109827 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1283 (122169 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1278 (184726 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1278 (146060 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1110 (102510 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1021 (176086 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1569 (101670 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1528 (328374 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1030 (178712 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1464 (111459 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1644 (101868 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1784 (311071 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1784 (115094 -> 100000)
+Warn: 178 atom(s) hit accel clamp on step 6, first atom 79 (262101 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 7, first atom 958 (141544 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 8, first atom 772 (131129 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 9, first atom 1032 (181153 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 10, first atom 1032 (334562 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 11, first atom 1032 (206158 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 12, first atom 1022 (102014 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 13, first atom 962 (129833 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 14, first atom 1061 (103232 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1130 (288222 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 16, first atom 1051 (123203 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 1032 (152315 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 18, first atom 1032 (108350 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1032 (110517 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1393 (310551 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 1032 (383998 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1032 (147197 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 23, first atom 1032 (103738 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1116 (152676 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1116 (146430 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 962 (102604 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1532 (163896 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1108 (120132 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 29, first atom 1033 (299721 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1116 (111052 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1024 (156719 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1033 (101357 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1116 (120525 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1529 (103621 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1116 (100248 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1660 (127017 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1529 (137358 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1660 (124702 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1658 (126886 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1050 (113961 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1032 (106880 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1033 (101409 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1039 (138492 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1531 (107441 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1659 (137191 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.23 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5750 / 5873 solvent mols in 410 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40141 ms
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 1002 (118947 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1126 (194328 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1029 (120950 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1029 (103925 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.95 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5746 / 5931 solvent mols in 328 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41441 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.95 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5746 / 5931 solvent mols in 345 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40941 ms
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1079 (319682 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1116 (118056 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1663 (280714 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1663 (291239 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1663 (155146 -> 100000)
+Warn: 162 atom(s) hit accel clamp on step 5, first atom 79 (185683 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 6, first atom 957 (137459 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 7, first atom 983 (130178 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 8, first atom 995 (111555 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 9, first atom 1031 (637640 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 10, first atom 1031 (177568 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 11, first atom 1067 (126372 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 12, first atom 961 (114121 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 13, first atom 1067 (159356 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 1038 (104559 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 15, first atom 630 (154527 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 16, first atom 1397 (138952 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 17, first atom 1032 (182211 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 1060 (155334 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 1269 (102123 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1031 (111711 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1060 (177905 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1548 (100029 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1067 (113251 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1678 (136395 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1055 (105259 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1333 (315054 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1039 (140897 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1039 (211920 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1397 (120229 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1445 (155198 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 37, first atom 1405 (112753 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1397 (102205 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1397 (139556 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1573 (108628 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1040 (104570 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1407 (126306 -> 100000)
+Warn: 189 atom(s) hit accel clamp on step 9, first atom 79 (169211 -> 100000)
+Warn: 81 atom(s) hit accel clamp on step 10, first atom 748 (247092 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 11, first atom 110 (264738 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 12, first atom 110 (144098 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 13, first atom 959 (117371 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 14, first atom 1013 (140778 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 15, first atom 1070 (153520 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 16, first atom 956 (111365 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 17, first atom 153 (124709 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 18, first atom 1053 (114479 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 19, first atom 1029 (105386 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 20, first atom 1029 (159392 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 21, first atom 956 (112389 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1205 (146209 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1326 (102719 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1029 (116612 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1625 (110039 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 1064 (138748 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 959 (116327 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1016 (106877 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 959 (104143 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 1326 (175234 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1030 (297348 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1030 (237701 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1030 (138288 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1030 (113346 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1624 (234635 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1062 (133580 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1001 (101991 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1030 (130666 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1647 (267830 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1101 (196926 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1518 (102641 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1136 (114381 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1649 (449331 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1710 (122142 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1464 (100126 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1086 (509661 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1086 (138939 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 845 (111421 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1681 (102950 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1036 (116225 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1650 (141924 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1086 (119152 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1519 (108884 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1086 (104994 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1086 (120253 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1086 (141172 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1727 (231975 -> 100000)
+Warn: 185 atom(s) hit accel clamp on step 10, first atom 79 (152778 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 11, first atom 749 (247810 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 12, first atom 110 (269404 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 13, first atom 110 (201706 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 14, first atom 962 (108693 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 15, first atom 153 (121543 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 16, first atom 1056 (112309 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 17, first atom 962 (110163 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 18, first atom 1068 (136049 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 1047 (121197 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1130 (115911 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 21, first atom 1039 (112032 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 22, first atom 959 (108896 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1068 (115798 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 24, first atom 1032 (117698 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 25, first atom 1175 (136565 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 26, first atom 1473 (107459 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 27, first atom 962 (100071 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 28, first atom 1059 (110725 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1034 (117860 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 30, first atom 1602 (104051 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1402 (108935 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1039 (104875 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 1039 (125028 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1523 (105405 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1033 (145376 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1529 (100170 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1131 (124682 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1063 (595172 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1108 (233235 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1654 (187573 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1648 (133395 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1040 (104357 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1388 (106688 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1659 (128028 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1631 (138897 -> 100000)
+Warn: 187 atom(s) hit accel clamp on step 10, first atom 79 (168884 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 11, first atom 750 (269042 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 12, first atom 110 (271598 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 13, first atom 110 (190074 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 14, first atom 844 (116513 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 15, first atom 143 (123408 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 16, first atom 1072 (144907 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 17, first atom 153 (184640 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 18, first atom 1129 (199387 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 19, first atom 961 (112898 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 20, first atom 1060 (202144 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 21, first atom 1065 (146168 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 22, first atom 1207 (142038 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1207 (105920 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 1175 (131487 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 25, first atom 1175 (101583 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 1215 (124336 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 1066 (382521 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1104 (189959 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1062 (132206 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 1103 (114981 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1082 (170801 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1038 (115231 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1092 (104337 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1535 (112269 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1038 (101709 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1529 (165964 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1440 (118412 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1094 (120207 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1136 (101334 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1092 (111596 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 41, first atom 1093 (103177 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1632 (138639 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1423 (144949 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1662 (162819 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1446 (131922 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1662 (254235 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1410 (118111 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1093 (130186 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1574 (129819 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1643 (105190 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1668 (151899 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1532 (115332 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1668 (103726 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1413 (161160 -> 100000)
+Warn: 176 atom(s) hit accel clamp on step 1, first atom 79 (165211 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 2, first atom 957 (140270 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 3, first atom 773 (130726 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 4, first atom 958 (117823 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 5, first atom 957 (145416 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 6, first atom 847 (105339 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 7, first atom 1077 (116931 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 8, first atom 961 (139725 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 9, first atom 958 (224320 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 10, first atom 958 (157253 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 11, first atom 1177 (147992 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 12, first atom 958 (152561 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 13, first atom 1356 (101601 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1211 (100097 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 15, first atom 953 (100794 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 16, first atom 1398 (124147 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 17, first atom 1175 (124732 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 953 (345701 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 19, first atom 953 (159628 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1033 (108800 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 953 (125560 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1032 (120708 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1523 (108756 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1438 (114634 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1444 (109617 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1451 (103299 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1656 (139901 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1444 (119130 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1142 (132130 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1149 (116588 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1438 (156104 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1504 (136561 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1438 (107024 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 1397 (154185 -> 100000)
+Warn: 177 atom(s) hit accel clamp on step 1, first atom 79 (161021 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 2, first atom 965 (132730 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 3, first atom 772 (131058 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 4, first atom 966 (112926 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 5, first atom 965 (139011 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 6, first atom 1039 (180759 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 7, first atom 1080 (116900 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 8, first atom 1088 (165566 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 9, first atom 966 (174385 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 10, first atom 966 (118691 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 11, first atom 1179 (113538 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 966 (159503 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 13, first atom 1512 (136376 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1215 (135970 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 15, first atom 1288 (127631 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 16, first atom 1641 (158114 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1085 (168670 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 961 (228264 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 19, first atom 961 (109743 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1085 (145611 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1429 (128189 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1656 (199808 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1085 (119017 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1040 (305917 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1046 (307997 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1575 (461685 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1569 (113750 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1641 (104341 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1662 (130402 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1011 (107794 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1003 (109146 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.20 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5749 / 5872 solvent mols in 353 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40684 ms
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 1003 (145955 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1160 (183271 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1633 (111635 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1114 (114145 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.92 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5745 / 5930 solvent mols in 334 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41150 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.92 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5745 / 5930 solvent mols in 326 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 38665 ms
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1080 (297947 -> 100000)
+Warn: 184 atom(s) hit accel clamp on step 1, first atom 79 (165028 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 2, first atom 958 (130964 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 3, first atom 984 (112557 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 4, first atom 835 (145861 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 5, first atom 958 (135436 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 6, first atom 1023 (101749 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 7, first atom 1297 (194920 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 8, first atom 962 (121660 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 9, first atom 959 (196569 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 10, first atom 959 (176389 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 11, first atom 1068 (101782 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 12, first atom 959 (228070 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 13, first atom 1023 (100032 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 952 (130057 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 15, first atom 1393 (175618 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 16, first atom 1393 (344232 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1061 (134768 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 951 (103149 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 19, first atom 1211 (109207 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 954 (110287 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1068 (102370 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1045 (107389 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 953 (111382 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1039 (259983 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1265 (128634 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1719 (111790 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1265 (108777 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1719 (248155 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1574 (131590 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1035 (107121 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1784 (118652 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1532 (103933 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1784 (114274 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1711 (105995 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1784 (105983 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1410 (112026 -> 100000)
+Warn: 185 atom(s) hit accel clamp on step 10, first atom 79 (125982 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 11, first atom 950 (121116 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 12, first atom 110 (251710 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 13, first atom 110 (106731 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 14, first atom 1030 (158583 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 15, first atom 1030 (135594 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 16, first atom 1066 (112742 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 17, first atom 1054 (107038 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 18, first atom 1079 (184668 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 19, first atom 957 (160883 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1064 (160861 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 21, first atom 1268 (115801 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1064 (203769 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 23, first atom 1030 (123069 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1633 (119754 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 25, first atom 950 (134150 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1268 (107980 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 952 (195346 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 952 (112978 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 952 (130373 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1065 (161827 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 950 (351359 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 952 (102265 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1031 (170004 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1062 (133512 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1037 (131580 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1064 (118393 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1463 (100223 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1055 (121206 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1645 (122046 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1656 (154517 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1656 (114242 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1142 (143988 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1655 (148921 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1267 (102403 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1045 (101893 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1686 (100409 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1080 (262461 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1296 (468253 -> 100000)
+Warn: 179 atom(s) hit accel clamp on step 2, first atom 79 (173514 -> 100000)
+Warn: 63 atom(s) hit accel clamp on step 3, first atom 958 (115080 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 4, first atom 984 (115398 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 5, first atom 835 (153167 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 6, first atom 958 (119157 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 7, first atom 1023 (110838 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 8, first atom 1297 (139878 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 9, first atom 959 (115537 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 10, first atom 1068 (128400 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 11, first atom 1285 (111027 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 12, first atom 1061 (133475 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 1393 (141046 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 959 (108254 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 15, first atom 1172 (105344 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 1265 (126618 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 1061 (184330 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 18, first atom 1393 (112323 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 19, first atom 1284 (108629 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 1034 (113523 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1068 (109827 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1273 (114306 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1419 (109439 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1039 (132124 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1373 (105349 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1532 (164188 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1532 (210948 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1040 (113588 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1139 (105490 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1146 (104434 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 996 (103018 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1393 (164715 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 996 (113682 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 996 (197258 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1032 (106302 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 996 (117688 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 0, first atom 1085 (151276 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1118 (206749 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1428 (111587 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 3, first atom 1302 (126850 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 4, first atom 1302 (144173 -> 100000)
+Warn: 161 atom(s) hit accel clamp on step 5, first atom 79 (217729 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 6, first atom 960 (131979 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 7, first atom 986 (125577 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 8, first atom 1034 (229768 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 9, first atom 1034 (580111 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 10, first atom 1034 (166593 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 11, first atom 1303 (224952 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 12, first atom 964 (131084 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 13, first atom 1206 (108598 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 14, first atom 1063 (109002 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1291 (176949 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 1291 (144567 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 17, first atom 1047 (108297 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1271 (126696 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 1041 (109278 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1379 (110932 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1718 (204942 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1118 (100343 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1027 (101092 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1128 (112948 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1726 (243500 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1696 (124166 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1035 (128892 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1464 (122991 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1537 (120340 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1659 (110919 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1042 (124473 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1145 (107876 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 0, first atom 1094 (241427 -> 100000)
+Warn: 154 atom(s) hit accel clamp on step 1, first atom 79 (163733 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 2, first atom 972 (134308 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 3, first atom 998 (111614 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 4, first atom 973 (110208 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 5, first atom 972 (138294 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 6, first atom 1037 (108323 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 7, first atom 1311 (151848 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 8, first atom 976 (114262 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 9, first atom 973 (192863 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 10, first atom 973 (162889 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 11, first atom 1082 (135286 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 12, first atom 973 (251490 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 13, first atom 1037 (105627 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 966 (104608 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 15, first atom 1544 (187525 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 16, first atom 1295 (124839 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1415 (140197 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 18, first atom 1190 (103634 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 19, first atom 1419 (149780 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 20, first atom 1230 (108168 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 966 (164615 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1649 (153679 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1053 (102842 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1298 (112491 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1046 (102200 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1054 (106334 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1279 (105994 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1153 (128173 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1160 (111952 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.23 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5750 / 5873 solvent mols in 358 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40551 ms
+Warn: 11 atom(s) hit accel clamp on step 0, first atom 951 (214546 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1128 (115449 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1031 (113401 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1031 (193301 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1031 (221841 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.94 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5744 / 5930 solvent mols in 350 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41234 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.94 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5744 / 5930 solvent mols in 351 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41151 ms
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1091 (119211 -> 100000)
+Warn: 183 atom(s) hit accel clamp on step 1, first atom 79 (158618 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 2, first atom 960 (134307 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 3, first atom 774 (130697 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 4, first atom 961 (116963 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 5, first atom 960 (137377 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 6, first atom 1036 (163686 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 7, first atom 1083 (113310 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 8, first atom 1061 (109821 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 961 (217341 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 10, first atom 961 (150475 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 11, first atom 1183 (116279 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 12, first atom 961 (163272 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 13, first atom 1120 (115343 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 14, first atom 1217 (185448 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 954 (145415 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 16, first atom 1268 (128161 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 1181 (133159 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 956 (273623 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 19, first atom 956 (316358 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 1051 (124228 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 21, first atom 955 (108106 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1043 (118766 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 24, first atom 1043 (120887 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1051 (124269 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1276 (138178 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1044 (104063 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1044 (105666 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1739 (100854 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1044 (148974 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 954 (110179 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1155 (105535 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1725 (108446 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1036 (107786 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1044 (109774 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 0, first atom 1411 (304281 -> 100000)
+Warn: 167 atom(s) hit accel clamp on step 1, first atom 79 (162295 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 2, first atom 972 (130962 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 3, first atom 772 (130886 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 4, first atom 973 (118863 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 5, first atom 972 (133943 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 6, first atom 1048 (174338 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 1095 (300813 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 8, first atom 977 (159408 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 9, first atom 973 (356165 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 10, first atom 973 (221738 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 11, first atom 1290 (163876 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 12, first atom 1127 (291457 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 13, first atom 1561 (111634 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 14, first atom 1128 (137225 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 15, first atom 968 (110754 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 16, first atom 1061 (181107 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1189 (104259 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 18, first atom 968 (264886 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1128 (107740 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 20, first atom 967 (176500 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 1055 (127327 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1063 (243248 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1055 (141453 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1055 (104445 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1063 (269664 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1063 (230625 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1690 (107094 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1063 (205111 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1056 (124274 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1543 (102163 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1116 (100043 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1694 (123797 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1414 (158929 -> 100000)
+Warn: 188 atom(s) hit accel clamp on step 1, first atom 79 (161012 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 2, first atom 957 (143109 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 3, first atom 771 (130928 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 4, first atom 958 (130516 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 5, first atom 957 (146371 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 6, first atom 1033 (156733 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 7, first atom 1080 (331148 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 8, first atom 962 (154838 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 958 (298877 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 10, first atom 958 (205074 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 11, first atom 1275 (184224 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 12, first atom 958 (112947 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 13, first atom 1112 (118132 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 1113 (161388 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 15, first atom 1112 (110343 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1080 (198405 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 17, first atom 1112 (163534 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 953 (273275 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 953 (139226 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 952 (116353 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 21, first atom 1112 (119722 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1040 (106319 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1276 (102756 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1034 (225843 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1040 (191646 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1572 (184417 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1269 (104962 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1702 (116741 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1041 (113152 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1041 (125029 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1734 (157712 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1702 (125565 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1734 (100896 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1441 (112397 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1522 (100448 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1734 (125728 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1115 (401607 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1115 (113694 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1656 (165083 -> 100000)
+Warn: 194 atom(s) hit accel clamp on step 3, first atom 79 (158788 -> 100000)
+Warn: 74 atom(s) hit accel clamp on step 4, first atom 960 (156856 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 5, first atom 774 (130518 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 6, first atom 837 (168574 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 7, first atom 960 (141929 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 8, first atom 1025 (105039 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 9, first atom 1083 (157909 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 10, first atom 965 (141051 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 11, first atom 1083 (131488 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 12, first atom 1066 (125492 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 13, first atom 1291 (101361 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 14, first atom 1120 (503397 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 15, first atom 1037 (117882 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 1217 (105350 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 17, first atom 1217 (124487 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 18, first atom 1268 (160787 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 19, first atom 1405 (145755 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1294 (313639 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 21, first atom 1294 (182380 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1027 (113096 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1674 (170878 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1485 (113001 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1664 (141430 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1037 (130624 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1051 (113259 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1584 (108507 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1276 (122367 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1670 (106617 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1670 (139712 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1054 (103805 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1051 (118584 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1715 (104210 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1051 (126119 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1036 (132776 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.20 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5749 / 5872 solvent mols in 336 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41469 ms
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 986 (102313 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1162 (177631 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1033 (112838 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.93 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5745 / 5930 solvent mols in 392 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41205 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.93 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5745 / 5930 solvent mols in 331 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39496 ms
+Warn: 199 atom(s) hit accel clamp on step 7, first atom 79 (201948 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 8, first atom 958 (102676 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 9, first atom 772 (130548 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 10, first atom 984 (107311 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 11, first atom 495 (147238 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 12, first atom 495 (182583 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 13, first atom 1073 (113801 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 14, first atom 959 (136374 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 15, first atom 1016 (112480 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 16, first atom 1061 (121020 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 17, first atom 962 (111871 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 18, first atom 1134 (161279 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 19, first atom 1116 (161969 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1033 (128304 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 21, first atom 1215 (138640 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1256 (143332 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 23, first atom 1200 (125292 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1213 (101232 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 25, first atom 959 (110207 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1051 (129453 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1032 (127825 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1180 (122263 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1404 (158574 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 959 (101401 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1395 (126003 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 32, first atom 1051 (142453 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1404 (112568 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 959 (117483 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1179 (103728 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1051 (133110 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1662 (108749 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1476 (107081 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1409 (121904 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 959 (105267 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1409 (135003 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1051 (100800 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1476 (105511 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1421 (100361 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1714 (166583 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1714 (111307 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1366 (152324 -> 100000)
+Warn: 193 atom(s) hit accel clamp on step 1, first atom 79 (163562 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 2, first atom 967 (127084 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 3, first atom 774 (131098 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 4, first atom 129 (134747 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 5, first atom 967 (128296 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 6, first atom 1032 (105269 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 7, first atom 503 (106134 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 8, first atom 971 (123826 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 9, first atom 968 (214433 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 10, first atom 968 (182917 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 11, first atom 1117 (164360 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 12, first atom 857 (350316 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 13, first atom 1420 (149139 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 14, first atom 857 (116349 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 15, first atom 961 (129118 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 16, first atom 1188 (130255 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1429 (148847 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 963 (302145 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 19, first atom 963 (218397 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 20, first atom 857 (180141 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 963 (102092 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1415 (229012 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1042 (127210 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1048 (264284 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1415 (124443 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1654 (135944 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1056 (107631 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1074 (107123 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1422 (125691 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1673 (141110 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1673 (110105 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1049 (103342 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1048 (142978 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1048 (104103 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1048 (126519 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1048 (119081 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1541 (102198 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1672 (171997 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1671 (103307 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1671 (125562 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 0, first atom 1410 (182470 -> 100000)
+Warn: 181 atom(s) hit accel clamp on step 1, first atom 79 (161141 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 2, first atom 974 (133332 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 3, first atom 774 (131151 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 4, first atom 129 (138252 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 5, first atom 974 (135306 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 6, first atom 153 (106711 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 7, first atom 1094 (260985 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 8, first atom 1072 (130214 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 9, first atom 975 (124960 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 10, first atom 1084 (130666 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 11, first atom 1124 (117939 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 153 (156600 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 13, first atom 1423 (133736 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 1132 (139738 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 15, first atom 968 (130676 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1131 (119863 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 1301 (192078 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 18, first atom 970 (182885 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1133 (102123 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 969 (183419 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1542 (106534 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1355 (110618 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1110 (134716 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1049 (253510 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1055 (337688 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1128 (116599 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1542 (136681 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1548 (118340 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1548 (106141 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1056 (106310 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1430 (184516 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1666 (110140 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1542 (118995 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1303 (138315 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1529 (133735 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1051 (106947 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1055 (138781 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1548 (104339 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.24 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5751 / 5874 solvent mols in 345 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41121 ms
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 1010 (143002 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1023 (108715 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.96 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5747 / 5931 solvent mols in 327 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41375 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.96 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5747 / 5931 solvent mols in 339 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41137 ms
+Warn: 15 atom(s) hit accel clamp on step 0, first atom 1407 (346928 -> 100000)
+Warn: 174 atom(s) hit accel clamp on step 1, first atom 79 (161347 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 2, first atom 972 (130314 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 3, first atom 772 (130978 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 4, first atom 973 (132083 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 5, first atom 972 (135773 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 6, first atom 1046 (182104 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 7, first atom 966 (125719 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 8, first atom 976 (117120 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 9, first atom 973 (158381 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 10, first atom 973 (136211 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 11, first atom 1122 (120678 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 12, first atom 973 (211302 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 13, first atom 153 (102526 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 14, first atom 1130 (156880 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 15, first atom 1122 (102755 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1194 (164561 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 1190 (111112 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 18, first atom 968 (136518 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 19, first atom 968 (108292 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1061 (122989 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1061 (182346 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1522 (121155 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 968 (100247 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1010 (100998 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1660 (133260 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1054 (101826 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1054 (111019 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1543 (238511 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1131 (108090 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1098 (130053 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1053 (103938 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1046 (105565 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1672 (100459 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1097 (114759 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1097 (118355 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1476 (1177642 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1476 (110372 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1487 (117447 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1722 (152516 -> 100000)
+Warn: 182 atom(s) hit accel clamp on step 4, first atom 79 (166718 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 5, first atom 965 (145403 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 6, first atom 772 (130895 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 7, first atom 129 (139148 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 8, first atom 965 (127771 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 9, first atom 1039 (162650 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 10, first atom 1080 (221269 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 11, first atom 969 (125743 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 12, first atom 1085 (182700 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 13, first atom 1296 (222763 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 14, first atom 1080 (123607 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 153 (135055 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 16, first atom 1040 (109956 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1133 (107355 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1403 (158267 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 772 (120091 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 20, first atom 1263 (162610 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 1066 (118168 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1116 (150408 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 1072 (125955 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1147 (121047 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1102 (342366 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 26, first atom 1102 (556030 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1040 (138648 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1411 (125215 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1411 (102849 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 30, first atom 1147 (357850 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1147 (115171 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 32, first atom 1668 (317987 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1147 (110120 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1295 (101487 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1039 (121939 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1039 (102837 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1039 (123494 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1306 (1420839 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1306 (103141 -> 100000)
+Warn: 185 atom(s) hit accel clamp on step 4, first atom 79 (181579 -> 100000)
+Warn: 71 atom(s) hit accel clamp on step 5, first atom 960 (129225 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 6, first atom 986 (109692 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 7, first atom 837 (163089 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 8, first atom 960 (122252 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 9, first atom 497 (150147 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 10, first atom 1126 (221220 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 11, first atom 964 (111700 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 12, first atom 1100 (133428 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 13, first atom 1041 (114046 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 14, first atom 1122 (104972 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 15, first atom 1114 (202238 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 16, first atom 1025 (107188 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1099 (119380 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1401 (119512 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 1401 (120334 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 20, first atom 1182 (107321 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 22, first atom 1123 (107798 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 23, first atom 1357 (102018 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1342 (107454 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1462 (104276 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1683 (140992 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1035 (159511 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1337 (104857 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1041 (134156 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1115 (145925 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1101 (170903 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1049 (118278 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1035 (100560 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1049 (102909 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1418 (154489 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1415 (148233 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1418 (114657 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1580 (119881 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1532 (136423 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1415 (115465 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1657 (155096 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1034 (151482 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1034 (151527 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1095 (118387 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1476 (1149257 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1699 (164308 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1487 (119248 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1722 (163618 -> 100000)
+Warn: 182 atom(s) hit accel clamp on step 4, first atom 79 (175126 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 5, first atom 965 (157277 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 6, first atom 772 (131093 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 7, first atom 129 (116302 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 8, first atom 965 (136166 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 9, first atom 153 (122308 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 10, first atom 1023 (100195 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 11, first atom 969 (138150 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 12, first atom 1023 (100090 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 13, first atom 1141 (274164 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 1080 (127657 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1039 (145920 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 16, first atom 1040 (180412 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1080 (106108 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1085 (122803 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1039 (211969 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 20, first atom 1269 (113730 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 1039 (112883 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1124 (105986 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1039 (107198 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1063 (123286 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 25, first atom 1284 (203725 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1063 (102642 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 1293 (132822 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1046 (128617 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1141 (100095 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1054 (141244 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1141 (124048 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1063 (131302 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1419 (360351 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1666 (348884 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1666 (109693 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1040 (102279 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1397 (102454 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1419 (141078 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1040 (140125 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1040 (112276 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1096 (154643 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 0, first atom 1070 (136646 -> 100000)
+Warn: 180 atom(s) hit accel clamp on step 1, first atom 79 (162253 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 2, first atom 963 (138555 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 3, first atom 989 (109102 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 4, first atom 840 (144984 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 5, first atom 963 (141627 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 6, first atom 1037 (185412 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 7, first atom 957 (140814 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 8, first atom 1109 (141378 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 964 (164360 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 10, first atom 964 (135549 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 11, first atom 1109 (104982 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 12, first atom 964 (244252 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 1028 (136734 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 14, first atom 956 (105222 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 15, first atom 1299 (172121 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 1299 (106007 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 17, first atom 1276 (111009 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1653 (104853 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 19, first atom 1422 (118206 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1039 (120765 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 21, first atom 853 (142250 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1291 (165656 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 957 (117660 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1424 (146872 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1417 (116629 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1424 (103673 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1417 (135542 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1424 (212654 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1588 (112248 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1425 (129555 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1422 (105697 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1717 (167189 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1587 (108727 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1664 (105685 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1424 (130320 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1726 (100648 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1726 (176386 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1726 (155140 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 0, first atom 1086 (274988 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 1, first atom 1309 (464065 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 2, first atom 1309 (101786 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1671 (200172 -> 100000)
+Warn: 157 atom(s) hit accel clamp on step 4, first atom 79 (166980 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 5, first atom 964 (150776 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 6, first atom 990 (113213 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 7, first atom 1038 (239940 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 8, first atom 964 (127404 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 9, first atom 1038 (166008 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 10, first atom 1074 (164707 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 11, first atom 965 (120937 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 12, first atom 1074 (147545 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 13, first atom 1045 (120703 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 14, first atom 1045 (111834 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 15, first atom 1067 (111981 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 16, first atom 1039 (155591 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 17, first atom 1067 (114129 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 18, first atom 1413 (131538 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 19, first atom 1185 (150104 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 20, first atom 1417 (138826 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1406 (175917 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1129 (119558 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1413 (198460 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 26, first atom 1740 (118265 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 1062 (110925 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1413 (124557 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1404 (140126 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1404 (136257 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1426 (132864 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1421 (107405 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1129 (107220 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1297 (174559 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1421 (158277 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1283 (303175 -> 100000)
+Warn: 180 atom(s) hit accel clamp on step 1, first atom 79 (159453 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 2, first atom 956 (133395 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 3, first atom 767 (131202 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 4, first atom 957 (110307 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 5, first atom 956 (137525 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 6, first atom 1030 (156664 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 7, first atom 950 (104382 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 8, first atom 1045 (103179 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 9, first atom 957 (175167 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 10, first atom 957 (129228 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 11, first atom 1045 (109133 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 12, first atom 957 (227767 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 13, first atom 153 (111536 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 14, first atom 949 (100107 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 15, first atom 950 (152628 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 16, first atom 1174 (129514 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 1254 (169142 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1656 (101913 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 19, first atom 1045 (140204 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 20, first atom 1218 (107838 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1063 (296107 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 22, first atom 1054 (146481 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1092 (212486 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 24, first atom 950 (187891 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1110 (124278 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1568 (126500 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 28, first atom 1411 (243657 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1412 (165469 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1054 (110131 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1672 (108781 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1106 (101610 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1571 (109735 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1081 (103205 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1528 (184833 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.24 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5752 / 5874 solvent mols in 353 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40986 ms
+Warn: 24 atom(s) hit accel clamp on step 0, first atom 965 (126279 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1146 (155456 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1798 (361249 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1798 (311784 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1045 (113823 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1798 (115137 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 10, first atom 1798 (100214 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1713 (118234 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.96 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5750 / 5931 solvent mols in 354 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40723 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.96 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5750 / 5931 solvent mols in 344 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39352 ms
+Warn: 231 atom(s) hit accel clamp on step 14, first atom 79 (140530 -> 100000)
+Warn: 95 atom(s) hit accel clamp on step 15, first atom 547 (102600 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 16, first atom 110 (220448 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 17, first atom 129 (108319 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 18, first atom 529 (117284 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 19, first atom 153 (125308 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 20, first atom 932 (104390 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 21, first atom 932 (171393 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 22, first atom 969 (102138 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 23, first atom 969 (112066 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 24, first atom 840 (119329 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 25, first atom 1078 (379770 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 26, first atom 1042 (100607 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 27, first atom 961 (121986 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 28, first atom 1130 (102486 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 29, first atom 1285 (158457 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 30, first atom 964 (106267 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 31, first atom 1077 (218284 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 32, first atom 1419 (148268 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 33, first atom 1130 (110782 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 34, first atom 1279 (160373 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 35, first atom 1177 (189065 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 36, first atom 1177 (128494 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 37, first atom 1414 (374155 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 38, first atom 1225 (100108 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 39, first atom 1281 (235508 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 40, first atom 1282 (169021 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 41, first atom 1105 (158660 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1363 (103753 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 43, first atom 930 (147872 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1274 (111406 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 45, first atom 1279 (259963 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1398 (151491 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 47, first atom 1358 (165867 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 48, first atom 1412 (183669 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 49, first atom 1363 (101872 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1363 (178360 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 51, first atom 1454 (109260 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 52, first atom 1363 (102647 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1281 (106111 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 55, first atom 1533 (126751 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1795 (108931 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1533 (133970 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1734 (106477 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1454 (211554 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1459 (134207 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1734 (137083 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1734 (100934 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1800 (131849 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1796 (119633 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1716 (138864 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1796 (108069 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1730 (100429 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 73, first atom 1427 (115758 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1723 (127897 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1795 (149216 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1724 (118093 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1728 (112364 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 79, first atom 1412 (108500 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 80, first atom 1412 (161956 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1281 (159941 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1412 (180873 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1412 (154117 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 91, first atom 1704 (107120 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1704 (134017 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 95, first atom 1706 (172146 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 97, first atom 1704 (145889 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 99, first atom 1704 (131443 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 0, first atom 1302 (113353 -> 100000)
+Warn: 184 atom(s) hit accel clamp on step 1, first atom 79 (161413 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 2, first atom 975 (130747 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 3, first atom 775 (131010 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 4, first atom 976 (124755 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 5, first atom 975 (133723 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 6, first atom 1049 (121612 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 7, first atom 969 (132836 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 8, first atom 1064 (213178 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 976 (144093 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 10, first atom 1064 (289513 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 11, first atom 976 (104598 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 12, first atom 153 (142535 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 13, first atom 1133 (153121 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 14, first atom 1151 (114183 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 15, first atom 1133 (470693 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 1064 (144175 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 17, first atom 1432 (198804 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 971 (139132 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 971 (217978 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1288 (189536 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1049 (149824 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 22, first atom 1084 (100547 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 23, first atom 1687 (127821 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1800 (159185 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 25, first atom 1687 (169636 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1041 (108970 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1432 (116921 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1541 (115259 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1598 (108321 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1434 (109461 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1673 (195276 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1687 (192238 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1551 (102225 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1551 (105042 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1673 (193754 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1673 (107721 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1590 (238170 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1744 (112365 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.33 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5757 / 5877 solvent mols in 336 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40682 ms
+Warn: 26 atom(s) hit accel clamp on step 0, first atom 994 (102616 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1170 (163379 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1520 (148159 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1033 (118385 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 178.05 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5754 / 5934 solvent mols in 382 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41509 ms
+Initializing solvent molecules...
+Solvent-free vol: 178.05 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5754 / 5934 solvent mols in 336 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40869 ms
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1769 (138860 -> 100000)
+Warn: 213 atom(s) hit accel clamp on step 1, first atom 79 (169439 -> 100000)
+Warn: 81 atom(s) hit accel clamp on step 2, first atom 969 (133277 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 3, first atom 769 (131065 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 4, first atom 821 (141006 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 5, first atom 969 (140512 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 6, first atom 1036 (108413 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 7, first atom 963 (274651 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 8, first atom 974 (123851 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 9, first atom 970 (203832 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 10, first atom 970 (160922 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 11, first atom 1121 (242136 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 12, first atom 970 (166645 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 13, first atom 860 (150000 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 14, first atom 963 (104920 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 15, first atom 1129 (205586 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 16, first atom 1192 (128186 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 17, first atom 1129 (112851 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 18, first atom 1282 (118091 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 19, first atom 965 (222051 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 20, first atom 1418 (106467 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 21, first atom 965 (101241 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1052 (110120 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 1418 (122119 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 24, first atom 1046 (158437 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 25, first atom 1045 (104217 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 26, first atom 1016 (153762 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 27, first atom 1423 (351093 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1016 (122791 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 29, first atom 1015 (139067 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1015 (107767 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1465 (135360 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1745 (186555 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 34, first atom 1060 (140254 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 964 (111679 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 36, first atom 1107 (139311 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1287 (100404 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1271 (179218 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1737 (138527 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1822 (248220 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1801 (111006 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1804 (103744 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1700 (106707 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1700 (100054 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1822 (104747 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1745 (119292 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1745 (198585 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1745 (148065 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1802 (113074 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1725 (132243 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1745 (131679 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1292 (1463034 -> 100000)
+Warn: 231 atom(s) hit accel clamp on step 5, first atom 79 (261899 -> 100000)
+Warn: 93 atom(s) hit accel clamp on step 6, first atom 832 (120510 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 7, first atom 763 (131169 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 8, first atom 129 (103835 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 9, first atom 486 (137195 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 10, first atom 153 (132178 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 11, first atom 1080 (335049 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 12, first atom 964 (112756 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 13, first atom 1085 (120335 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 14, first atom 622 (126024 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 15, first atom 1080 (113693 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 16, first atom 1115 (128236 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 17, first atom 853 (133137 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 18, first atom 1063 (106731 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 19, first atom 1058 (104352 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 20, first atom 1123 (112755 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 21, first atom 1085 (144604 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 22, first atom 1123 (302696 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 23, first atom 1124 (149154 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 24, first atom 1123 (112497 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 25, first atom 1123 (103935 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 26, first atom 1119 (119521 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 27, first atom 1401 (173857 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 28, first atom 1183 (108336 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 29, first atom 1278 (129423 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 30, first atom 1096 (100757 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1446 (121823 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 32, first atom 1382 (117761 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 33, first atom 1400 (100047 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 34, first atom 1361 (102952 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1157 (111930 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1400 (113276 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 37, first atom 1054 (135953 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1659 (112127 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1432 (129500 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 1386 (101966 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 41, first atom 1091 (210749 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 1432 (145874 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1411 (108441 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1409 (112842 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1409 (127266 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1086 (147929 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1090 (118243 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1718 (101533 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1718 (132672 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1720 (190148 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1664 (125506 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1789 (106046 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1733 (145275 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1785 (101529 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1723 (145146 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1664 (115450 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1441 (138682 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1722 (293713 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1447 (138276 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1725 (105322 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1660 (158623 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1440 (166479 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1664 (100530 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1440 (140207 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1733 (128452 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1440 (152930 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1440 (133669 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1718 (111918 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 74, first atom 1440 (140351 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1718 (109761 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1718 (127365 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1091 (297629 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1314 (324295 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1669 (200052 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1314 (116711 -> 100000)
+Warn: 218 atom(s) hit accel clamp on step 5, first atom 79 (243787 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 6, first atom 836 (113066 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 7, first atom 850 (107583 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 8, first atom 819 (157986 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 9, first atom 854 (100532 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 10, first atom 490 (139060 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 11, first atom 1079 (150806 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 12, first atom 968 (106238 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 13, first atom 839 (103228 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 14, first atom 1079 (449537 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 15, first atom 1148 (126788 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 16, first atom 1050 (190015 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 17, first atom 858 (130036 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 18, first atom 1072 (104488 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 19, first atom 1072 (107535 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 20, first atom 1043 (123383 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 21, first atom 841 (170204 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1699 (204252 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 23, first atom 972 (104893 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 24, first atom 1388 (107057 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 1422 (131625 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 1285 (340760 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 27, first atom 1412 (191195 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 28, first atom 1050 (140194 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 29, first atom 1452 (248434 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 30, first atom 1286 (124920 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1474 (101129 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 32, first atom 845 (129375 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 33, first atom 1051 (122355 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 34, first atom 1051 (101953 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1417 (171889 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1733 (146843 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1285 (411000 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1744 (114623 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1283 (135034 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 1419 (124099 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 41, first atom 1340 (107099 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1715 (204018 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 43, first atom 1453 (102236 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 44, first atom 1286 (109930 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1737 (102452 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1458 (105259 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 47, first atom 1397 (109136 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 48, first atom 1283 (115568 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1459 (133344 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1458 (167971 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1453 (116116 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1451 (250650 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1453 (100387 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1452 (122548 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1458 (131429 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1458 (105340 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1714 (110376 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1769 (128189 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1458 (100570 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1730 (103733 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1458 (108862 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1730 (273024 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1737 (102504 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 84, first atom 1453 (104365 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1417 (363321 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1417 (192659 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1720 (168042 -> 100000)
+Warn: 205 atom(s) hit accel clamp on step 4, first atom 79 (225369 -> 100000)
+Warn: 82 atom(s) hit accel clamp on step 5, first atom 530 (107023 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 6, first atom 768 (131246 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 7, first atom 129 (135829 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 8, first atom 968 (113148 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 9, first atom 834 (107823 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 10, first atom 1085 (159177 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 11, first atom 969 (106460 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 12, first atom 840 (148574 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 13, first atom 1128 (113581 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 14, first atom 1080 (105423 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 15, first atom 1051 (137247 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 16, first atom 1045 (128901 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 17, first atom 1099 (103390 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 18, first atom 972 (107700 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 19, first atom 842 (175221 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 20, first atom 842 (161456 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 1129 (106154 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1121 (107185 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 23, first atom 1449 (187263 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 1451 (114266 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 25, first atom 1015 (124948 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 26, first atom 1465 (198944 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1045 (196828 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 28, first atom 1399 (101461 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 29, first atom 541 (133415 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 30, first atom 1059 (112371 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 840 (115856 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 32, first atom 1221 (139024 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 1068 (120847 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1052 (146797 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 35, first atom 1366 (160989 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1367 (136050 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1587 (128657 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 838 (139557 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1399 (113399 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 972 (100995 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 41, first atom 1462 (391362 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1462 (162811 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 43, first atom 1366 (111151 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1462 (103552 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1462 (116027 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1463 (123840 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1728 (314574 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1450 (236803 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1727 (449720 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 51, first atom 1729 (100887 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1450 (113313 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1462 (138294 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1734 (197138 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1462 (116704 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1462 (153089 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 57, first atom 1462 (109996 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1462 (127055 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1731 (223764 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1533 (101309 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1734 (112211 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1730 (273839 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 63, first atom 1457 (204488 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1734 (166409 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1739 (113147 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1734 (174354 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1734 (110965 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1729 (131686 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1727 (161009 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1727 (121464 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1733 (124097 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1045 (148305 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 100, first atom 1473 (108248 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1293 (422843 -> 100000)
+Warn: 206 atom(s) hit accel clamp on step 1, first atom 79 (162422 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 2, first atom 964 (127242 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 3, first atom 764 (131016 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 4, first atom 816 (138445 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 5, first atom 964 (124570 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 6, first atom 1031 (113431 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 7, first atom 958 (242307 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 8, first atom 1102 (201802 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 9, first atom 965 (226763 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 10, first atom 965 (188581 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 11, first atom 1076 (111277 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 12, first atom 153 (111271 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 13, first atom 855 (154895 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 14, first atom 958 (198780 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 15, first atom 1124 (333030 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 960 (245875 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 17, first atom 1124 (143525 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 18, first atom 960 (119958 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 19, first atom 1125 (155859 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 960 (109286 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 21, first atom 1124 (101856 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 22, first atom 1660 (580551 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 23, first atom 1409 (132977 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 24, first atom 1659 (137691 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1713 (416234 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 26, first atom 1647 (113174 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1658 (178618 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1414 (115012 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1716 (158424 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1728 (141803 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1728 (201921 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 32, first atom 1125 (133145 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1661 (160376 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 34, first atom 1409 (112092 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1417 (101069 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1712 (207360 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1405 (247302 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1118 (189100 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1712 (160842 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1728 (101920 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1801 (117871 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.25 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5755 / 5874 solvent mols in 375 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40562 ms
+Warn: 23 atom(s) hit accel clamp on step 0, first atom 995 (101251 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1143 (102885 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1790 (257728 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1790 (318249 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1790 (136125 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1790 (123355 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 7, first atom 1291 (103390 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 10, first atom 1705 (160298 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1790 (105185 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 12, first atom 1705 (105285 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 177.97 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5754 / 5931 solvent mols in 332 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40571 ms
+Initializing solvent molecules...
+Solvent-free vol: 177.97 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5754 / 5931 solvent mols in 327 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41837 ms
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1291 (1532744 -> 100000)
+Warn: 224 atom(s) hit accel clamp on step 4, first atom 79 (176878 -> 100000)
+Warn: 91 atom(s) hit accel clamp on step 5, first atom 526 (116033 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 6, first atom 518 (110416 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 7, first atom 129 (123064 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 8, first atom 964 (121867 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 9, first atom 487 (123083 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 10, first atom 1079 (164404 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 11, first atom 836 (185827 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 12, first atom 1084 (148164 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 13, first atom 1140 (298605 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 14, first atom 1114 (817824 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 15, first atom 1062 (116739 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 16, first atom 1087 (122143 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 17, first atom 1122 (333738 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 18, first atom 1084 (121647 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 19, first atom 1092 (216647 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 20, first atom 1073 (115651 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 21, first atom 458 (107507 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 22, first atom 968 (110704 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 23, first atom 1101 (162737 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 24, first atom 1101 (193271 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 25, first atom 518 (214700 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 26, first atom 1039 (131811 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1124 (105967 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 28, first atom 1045 (101960 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 29, first atom 1383 (492478 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 30, first atom 1278 (113992 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1526 (113508 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1448 (218404 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1400 (115310 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 34, first atom 1349 (124742 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1383 (137694 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1383 (170766 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1448 (103436 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1657 (148604 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 39, first atom 1449 (108434 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1448 (119600 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1281 (109990 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1441 (158801 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1348 (126598 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1458 (149606 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 45, first atom 1089 (120324 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1448 (159965 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 47, first atom 1381 (157384 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1709 (274026 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1441 (186943 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1441 (169729 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 51, first atom 1448 (146077 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1441 (132224 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1441 (146895 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1797 (118376 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1089 (107011 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1689 (104051 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1657 (131678 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1709 (118577 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1709 (267414 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 61, first atom 1451 (175203 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1451 (130671 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1030 (101272 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1434 (105382 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1718 (279076 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1710 (204553 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1433 (119676 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1711 (109727 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1713 (125094 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1441 (102370 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1712 (209662 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1718 (114209 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1718 (117720 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 0, first atom 1484 (330588 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1484 (106305 -> 100000)
+Warn: 197 atom(s) hit accel clamp on step 6, first atom 79 (185269 -> 100000)
+Warn: 83 atom(s) hit accel clamp on step 7, first atom 531 (142916 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 8, first atom 110 (223455 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 9, first atom 129 (117325 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 10, first atom 530 (163331 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 11, first atom 838 (103938 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 12, first atom 1089 (217193 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 13, first atom 973 (131685 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 14, first atom 1089 (184151 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 15, first atom 1072 (135019 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 16, first atom 1077 (119330 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 17, first atom 153 (109501 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 18, first atom 1127 (156543 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 19, first atom 1145 (111638 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 20, first atom 523 (132056 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 21, first atom 1078 (190669 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 22, first atom 846 (110163 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 23, first atom 1127 (112034 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 24, first atom 1076 (135874 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 25, first atom 1127 (107821 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 26, first atom 849 (118397 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 27, first atom 1015 (116640 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 28, first atom 1456 (531982 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1456 (832862 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 1335 (101990 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 31, first atom 1097 (106771 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 32, first atom 1456 (159090 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1443 (293968 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 1456 (134607 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1456 (207756 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 36, first atom 1456 (254370 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1015 (136467 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1456 (109637 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 39, first atom 1154 (151234 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1154 (113499 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 41, first atom 1532 (137496 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1456 (107551 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1457 (184698 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1532 (117784 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1727 (101552 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1459 (157239 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1726 (159812 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 48, first atom 1050 (117118 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 49, first atom 1456 (165250 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1717 (103957 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1450 (117626 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1717 (135864 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1726 (101177 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1726 (247709 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1726 (205880 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1663 (127383 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1726 (118357 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1449 (101614 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1457 (181177 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1456 (267549 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1262 (1150678 -> 100000)
+Warn: 221 atom(s) hit accel clamp on step 1, first atom 98 (138884 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 2, first atom 528 (122313 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 3, first atom 766 (131113 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 4, first atom 818 (164342 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 5, first atom 966 (126872 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 6, first atom 835 (112567 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 7, first atom 1081 (102593 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 8, first atom 838 (183060 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 9, first atom 527 (203978 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 10, first atom 527 (121322 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 11, first atom 835 (134552 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 12, first atom 856 (270920 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 13, first atom 1031 (101616 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 857 (283533 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 15, first atom 1124 (263227 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 16, first atom 843 (156145 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 516 (163150 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 18, first atom 836 (107002 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 19, first atom 962 (146346 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 1124 (106015 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 21, first atom 1032 (111480 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 856 (102995 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 23, first atom 1415 (221757 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 24, first atom 1147 (126418 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1415 (105220 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 26, first atom 1092 (131311 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1450 (117584 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 28, first atom 1088 (110249 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 29, first atom 1726 (210691 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 30, first atom 1362 (101860 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1283 (101645 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 32, first atom 1283 (175276 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1125 (101371 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1460 (139534 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1460 (115309 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1454 (102960 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1417 (181894 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1458 (217299 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 39, first atom 1660 (172711 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1460 (126483 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1091 (113767 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1455 (138975 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1455 (107943 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1724 (122060 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 856 (250729 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1455 (273189 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1287 (112182 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1455 (219171 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1413 (191423 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1527 (146339 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 856 (107306 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 856 (138230 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1805 (111128 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1446 (117987 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1447 (258326 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 856 (689016 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1447 (108151 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 856 (137272 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 856 (181202 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 856 (165857 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 856 (156759 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 856 (187241 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 856 (157331 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1786 (183035 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1786 (237992 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 76, first atom 856 (151728 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 856 (158732 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 856 (110628 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 856 (109093 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 856 (153729 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 856 (141474 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 856 (111534 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 856 (143429 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 856 (120246 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 856 (114096 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 856 (130270 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 103, first atom 856 (110206 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 104, first atom 856 (113196 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1819 (101020 -> 100000)
+Warn: 218 atom(s) hit accel clamp on step 14, first atom 79 (146962 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 15, first atom 548 (101533 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 16, first atom 110 (270567 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 17, first atom 110 (262257 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 18, first atom 530 (140156 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 19, first atom 191 (113172 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 20, first atom 846 (133919 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 21, first atom 1066 (109950 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 22, first atom 530 (108122 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 23, first atom 1071 (112701 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 24, first atom 1049 (115090 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 25, first atom 1076 (127630 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 26, first atom 1078 (300939 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 27, first atom 845 (123770 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 28, first atom 1078 (125012 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 29, first atom 1266 (137404 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 30, first atom 1130 (118482 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 31, first atom 1077 (153877 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 32, first atom 1190 (131645 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 33, first atom 1033 (107386 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 34, first atom 1126 (109591 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 35, first atom 531 (138870 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 36, first atom 531 (128967 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 37, first atom 1416 (223080 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1416 (336144 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 39, first atom 1409 (322223 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1187 (113435 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1363 (148655 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 42, first atom 1119 (139531 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 43, first atom 1280 (119587 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1469 (152548 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 45, first atom 1057 (105475 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1354 (110879 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1416 (208265 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1463 (153057 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1456 (269791 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1456 (409871 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1460 (151797 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 52, first atom 1469 (121378 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 53, first atom 1456 (518778 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 54, first atom 1456 (248029 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1415 (118045 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1718 (359370 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1707 (100686 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1717 (108973 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1093 (119002 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1458 (124120 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1461 (103666 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 62, first atom 1455 (210569 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 63, first atom 1449 (200695 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1731 (103465 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 65, first atom 1450 (357068 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1725 (591040 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1728 (165276 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 68, first atom 1456 (107078 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1450 (105316 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1456 (108987 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1455 (103382 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 73, first atom 1457 (798702 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 74, first atom 1457 (189048 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1717 (110388 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1456 (109397 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1455 (101742 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1456 (190145 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 83, first atom 1455 (419951 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1455 (236985 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1461 (137214 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1455 (233218 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 87, first atom 1455 (157599 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 103, first atom 1460 (118157 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 104, first atom 1460 (104570 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 0, first atom 550 (169431 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 1, first atom 839 (164537 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 2, first atom 539 (106481 -> 100000)
+Warn: 222 atom(s) hit accel clamp on step 3, first atom 79 (176456 -> 100000)
+Warn: 93 atom(s) hit accel clamp on step 4, first atom 829 (170340 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 5, first atom 769 (131009 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 6, first atom 833 (101527 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 7, first atom 840 (143352 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 8, first atom 153 (146483 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 9, first atom 1089 (124045 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 10, first atom 970 (124324 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 11, first atom 1089 (150291 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 12, first atom 1191 (146864 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 13, first atom 833 (132589 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 14, first atom 1043 (120233 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 15, first atom 153 (118809 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 16, first atom 841 (184538 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 17, first atom 1119 (126360 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 18, first atom 1119 (118002 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 19, first atom 1089 (111678 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 20, first atom 1365 (117045 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 21, first atom 970 (120902 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 22, first atom 1043 (116918 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 23, first atom 1373 (133231 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 24, first atom 1049 (181755 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 25, first atom 1373 (118147 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 26, first atom 847 (293448 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 27, first atom 847 (168104 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 28, first atom 1095 (183382 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1038 (101034 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 1335 (100067 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1464 (116257 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 32, first atom 1691 (159404 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 33, first atom 1412 (400896 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 34, first atom 1389 (144526 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1128 (104054 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 36, first atom 1450 (298961 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1129 (108092 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1719 (147627 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1710 (145989 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1710 (100793 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1450 (190965 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1689 (100999 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1774 (137524 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1711 (343894 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 47, first atom 1689 (112321 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1711 (131860 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 51, first atom 1716 (130903 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1414 (132748 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1461 (178718 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1463 (101711 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1460 (133825 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1460 (117170 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1725 (147068 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1460 (171121 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1724 (111318 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1789 (111385 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1722 (100513 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1727 (158113 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1727 (121725 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 98, first atom 1727 (150468 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1291 (1531825 -> 100000)
+Warn: 223 atom(s) hit accel clamp on step 4, first atom 79 (174870 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 5, first atom 526 (140778 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 6, first atom 764 (131093 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 7, first atom 129 (140445 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 8, first atom 964 (117629 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 9, first atom 153 (129903 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 10, first atom 1079 (243197 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 11, first atom 965 (137822 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 12, first atom 1084 (200723 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 13, first atom 1062 (103599 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 14, first atom 1079 (124135 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 15, first atom 153 (237764 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 16, first atom 1350 (120418 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 17, first atom 1079 (109799 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 18, first atom 1147 (102754 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 19, first atom 1092 (244874 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 20, first atom 1057 (102156 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 840 (370083 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 22, first atom 965 (116881 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 23, first atom 1448 (126807 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 1448 (113230 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 25, first atom 1044 (121080 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 26, first atom 1045 (101795 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 27, first atom 1281 (109323 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 28, first atom 1448 (123561 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1448 (122130 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 30, first atom 1400 (100115 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1435 (145455 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 32, first atom 1349 (149193 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1448 (115618 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1646 (141800 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 35, first atom 1410 (2090179 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 36, first atom 1410 (1505100 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1407 (133203 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1449 (334652 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 39, first atom 1433 (130744 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1433 (185535 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1441 (105941 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 42, first atom 1410 (281735 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 43, first atom 1710 (240761 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1085 (120180 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1454 (167141 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1085 (124907 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1454 (171608 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1454 (169519 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1718 (129992 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1789 (108444 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1718 (218438 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1689 (103583 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 55, first atom 1699 (114403 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1699 (134710 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1409 (136802 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1690 (100806 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1712 (271212 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1718 (129480 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1797 (121011 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1655 (119826 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1718 (129757 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1451 (114176 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.30 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5755 / 5876 solvent mols in 349 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39354 ms
+Warn: 20 atom(s) hit accel clamp on step 0, first atom 1016 (117468 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1102 (116171 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1037 (115307 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1697 (129344 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1037 (124123 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 178.02 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5754 / 5933 solvent mols in 357 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40493 ms
+Initializing solvent molecules...
+Solvent-free vol: 178.02 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5754 / 5933 solvent mols in 330 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39636 ms
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 1409 (261780 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1409 (154266 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1711 (186264 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1711 (852707 -> 100000)
+Warn: 200 atom(s) hit accel clamp on step 4, first atom 79 (232077 -> 100000)
+Warn: 85 atom(s) hit accel clamp on step 5, first atom 526 (106384 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 6, first atom 764 (130910 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 7, first atom 129 (145617 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 8, first atom 964 (100818 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 9, first atom 153 (100565 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 10, first atom 1062 (100842 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 11, first atom 836 (187882 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 12, first atom 838 (102037 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 13, first atom 1140 (117005 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 14, first atom 839 (290613 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 15, first atom 838 (124249 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 16, first atom 1038 (122473 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 17, first atom 1126 (102542 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 18, first atom 1038 (105312 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 19, first atom 1448 (157486 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1262 (297500 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 1452 (106927 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 22, first atom 1039 (126470 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 23, first atom 1038 (171470 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 24, first atom 1523 (130434 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 25, first atom 1010 (114535 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 26, first atom 840 (186137 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 27, first atom 1045 (137587 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1449 (186891 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 29, first atom 1010 (100403 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 30, first atom 1402 (115073 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1718 (199511 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1030 (148956 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1145 (103226 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1433 (124487 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1045 (132917 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1053 (123504 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1725 (676823 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1721 (117586 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1433 (205998 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1441 (139711 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 41, first atom 1433 (290284 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1434 (111541 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1433 (156470 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1757 (118016 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1433 (108490 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1523 (110195 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1434 (273692 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1433 (117258 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1523 (143121 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1433 (254442 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1454 (166643 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1718 (150564 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1454 (111508 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1718 (101604 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1730 (113983 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1441 (118144 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 101, first atom 1726 (108315 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 118, first atom 1729 (109887 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1253 (111085 -> 100000)
+Warn: 230 atom(s) hit accel clamp on step 1, first atom 88 (261711 -> 100000)
+Warn: 95 atom(s) hit accel clamp on step 2, first atom 528 (119775 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 3, first atom 766 (131063 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 4, first atom 928 (362563 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 5, first atom 966 (128464 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 6, first atom 153 (126474 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 7, first atom 1040 (107480 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 8, first atom 838 (182243 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 9, first atom 967 (155447 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 10, first atom 527 (125732 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 11, first atom 818 (135707 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 12, first atom 967 (181538 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 13, first atom 1032 (120744 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 14, first atom 1124 (194014 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 15, first atom 959 (238391 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 16, first atom 843 (153123 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 17, first atom 842 (288882 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 18, first atom 843 (105673 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 19, first atom 962 (124451 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 20, first atom 840 (178819 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 21, first atom 1283 (126392 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 22, first atom 1055 (113898 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 1408 (109181 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1117 (140440 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1457 (139753 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 26, first atom 962 (116596 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 27, first atom 1370 (108525 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 837 (132771 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1217 (109548 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 30, first atom 835 (181917 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 31, first atom 1729 (189706 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 32, first atom 1283 (140675 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 33, first atom 1283 (116060 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1455 (207450 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1455 (202407 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1455 (127725 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 843 (103522 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 39, first atom 1455 (204308 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1455 (121798 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1705 (101516 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1454 (110694 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1725 (621269 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1715 (147413 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1460 (115435 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1716 (556285 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1725 (108739 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1779 (105574 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 52, first atom 1512 (100165 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1724 (794128 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 54, first atom 1364 (179956 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 55, first atom 1724 (159003 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1447 (136563 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1717 (130219 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 58, first atom 1091 (131838 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1455 (152420 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1724 (108976 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1732 (227541 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1364 (124242 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1364 (125490 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1462 (172340 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1365 (252896 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1462 (150041 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1727 (194485 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1454 (102782 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1444 (115111 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 93, first atom 1715 (100746 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1253 (108723 -> 100000)
+Warn: 231 atom(s) hit accel clamp on step 1, first atom 88 (261750 -> 100000)
+Warn: 95 atom(s) hit accel clamp on step 2, first atom 528 (126369 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 3, first atom 766 (131122 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 4, first atom 818 (121734 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 5, first atom 966 (129089 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 6, first atom 835 (150228 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 7, first atom 1040 (104843 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 8, first atom 838 (182639 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 9, first atom 842 (101751 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 10, first atom 967 (102158 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 11, first atom 1399 (350599 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 12, first atom 967 (100576 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 13, first atom 1032 (120081 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 14, first atom 967 (109928 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 15, first atom 959 (153414 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 16, first atom 1283 (105145 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 842 (122341 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 18, first atom 1040 (119383 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 19, first atom 962 (177762 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 20, first atom 1415 (135438 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 21, first atom 1220 (112930 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 22, first atom 1055 (122282 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 23, first atom 1040 (137158 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1455 (372386 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 25, first atom 1455 (146064 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 26, first atom 1408 (158876 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1460 (104833 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1455 (120172 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1408 (111564 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 1048 (116158 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1455 (135537 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1362 (180199 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1664 (108126 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1362 (172229 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1362 (157564 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1455 (281115 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 37, first atom 1048 (121016 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 38, first atom 1286 (108799 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1454 (149544 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 40, first atom 1457 (252786 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 41, first atom 843 (136825 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1454 (161013 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 43, first atom 1460 (110574 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1362 (135012 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1049 (103713 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1441 (135355 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1455 (121172 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1735 (157383 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1705 (266930 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1530 (111976 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1453 (137831 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1453 (119471 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1725 (135699 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 58, first atom 1415 (102802 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1717 (177488 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.32 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5756 / 5876 solvent mols in 349 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41818 ms
+Warn: 19 atom(s) hit accel clamp on step 0, first atom 990 (105021 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1166 (179542 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1037 (102740 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1697 (107980 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1782 (100620 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1782 (108483 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 17, first atom 1782 (106635 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 178.05 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5756 / 5934 solvent mols in 354 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40359 ms
+Initializing solvent molecules...
+Solvent-free vol: 178.05 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5756 / 5934 solvent mols in 370 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40289 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1260 (108095 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1538 (132237 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1273 (127186 -> 100000)
+Warn: 229 atom(s) hit accel clamp on step 5, first atom 88 (262585 -> 100000)
+Warn: 95 atom(s) hit accel clamp on step 6, first atom 835 (109373 -> 100000)
+Warn: 59 atom(s) hit accel clamp on step 7, first atom 110 (272445 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 8, first atom 110 (268191 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 9, first atom 527 (162764 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 10, first atom 153 (130688 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 11, first atom 931 (174765 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 12, first atom 930 (101688 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 13, first atom 1128 (100987 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 14, first atom 1064 (107012 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 15, first atom 1070 (101647 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 16, first atom 856 (103025 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 17, first atom 1041 (135198 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 18, first atom 1128 (100561 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 19, first atom 1283 (105579 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 20, first atom 1282 (209629 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 21, first atom 843 (199145 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 22, first atom 1075 (107340 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 23, first atom 970 (117895 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 24, first atom 1188 (113942 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 25, first atom 1286 (225840 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 26, first atom 1454 (211358 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1420 (105209 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 28, first atom 1403 (101194 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 29, first atom 1299 (106985 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 1097 (107196 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1428 (150302 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 32, first atom 1284 (105225 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 33, first atom 1300 (107223 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 34, first atom 1401 (106554 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 35, first atom 1362 (130898 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 36, first atom 1362 (124428 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 37, first atom 1454 (214480 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1454 (209126 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 39, first atom 844 (148281 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1012 (114945 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1041 (109845 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1282 (175641 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1282 (152643 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1439 (101035 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 45, first atom 1004 (100543 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1456 (114250 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1705 (117849 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1454 (345065 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 49, first atom 1454 (126634 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 50, first atom 1454 (130000 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1724 (161866 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1449 (106434 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1705 (113864 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1731 (128689 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 55, first atom 1415 (106167 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1706 (165257 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1415 (109541 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1705 (131398 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1688 (106167 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1687 (108484 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1032 (140885 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1718 (113515 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1726 (236703 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1724 (107657 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1726 (171716 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1726 (185685 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1720 (104571 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1455 (163941 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 71, first atom 1695 (183509 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1460 (123667 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1460 (170124 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1460 (115969 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1460 (104053 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1460 (159301 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1725 (100502 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1466 (109006 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1055 (153504 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1306 (517778 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1306 (122801 -> 100000)
+Warn: 215 atom(s) hit accel clamp on step 7, first atom 79 (262126 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 8, first atom 526 (101302 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 9, first atom 110 (223343 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 10, first atom 110 (115173 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 11, first atom 926 (216930 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 12, first atom 487 (118626 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 13, first atom 1064 (104713 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 14, first atom 929 (104393 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 15, first atom 927 (258558 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 16, first atom 1042 (723794 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 17, first atom 519 (135937 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 18, first atom 519 (133386 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 19, first atom 1040 (102693 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 20, first atom 519 (174105 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 21, first atom 926 (191586 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 22, first atom 928 (362207 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 23, first atom 1277 (114076 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 24, first atom 1395 (115168 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 25, first atom 967 (116253 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 26, first atom 1033 (121691 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 27, first atom 1071 (155060 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 28, first atom 1150 (104309 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 29, first atom 1409 (102213 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 1443 (157884 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1047 (106865 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 32, first atom 1279 (165571 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 33, first atom 1070 (113301 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 34, first atom 931 (148025 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 35, first atom 1356 (118489 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 36, first atom 1186 (101067 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 37, first atom 1443 (242139 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1387 (113225 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 39, first atom 1012 (127053 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1033 (144450 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 41, first atom 1047 (112974 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1454 (155164 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 43, first atom 1277 (112743 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 44, first atom 1443 (151006 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 45, first atom 1091 (154534 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 46, first atom 1435 (134385 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1277 (146716 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 48, first atom 1278 (224386 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 49, first atom 1448 (116713 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1073 (138805 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1453 (114345 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1714 (182740 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1281 (1722503 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 54, first atom 1281 (3583840 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 55, first atom 1449 (393365 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1451 (188860 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1454 (149489 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 58, first atom 1435 (198768 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 59, first atom 1705 (176188 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1435 (194626 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 61, first atom 1040 (109402 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1451 (102651 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1684 (111433 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 64, first atom 1072 (124159 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1448 (862328 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 66, first atom 1443 (117470 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1041 (112764 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 68, first atom 1442 (853863 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1436 (108861 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1436 (115380 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1785 (157575 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1705 (134337 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1784 (141516 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1453 (176711 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1724 (133675 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1705 (132068 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 90, first atom 1443 (131404 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.29 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5754 / 5875 solvent mols in 357 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40851 ms
+Warn: 24 atom(s) hit accel clamp on step 0, first atom 987 (100633 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1168 (163218 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 2, first atom 1031 (119451 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1787 (278378 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1420 (101348 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1633 (104829 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1787 (146072 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1702 (121254 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 10, first atom 1787 (139625 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1787 (107981 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 13, first atom 1787 (162961 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1787 (151294 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 17, first atom 1787 (123893 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1787 (123182 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 178.01 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5754 / 5933 solvent mols in 346 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40527 ms
+Initializing solvent molecules...
+Solvent-free vol: 178.01 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5754 / 5933 solvent mols in 353 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40334 ms
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 88 (109255 -> 100000)
+Warn: 221 atom(s) hit accel clamp on step 1, first atom 79 (163478 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 2, first atom 528 (122273 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 3, first atom 995 (113222 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 4, first atom 322 (110937 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 5, first atom 87 (121406 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 6, first atom 191 (109385 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 7, first atom 1050 (134352 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 8, first atom 841 (182398 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 9, first atom 970 (156173 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 10, first atom 970 (113354 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 11, first atom 844 (115791 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 12, first atom 970 (170703 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 13, first atom 859 (113650 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 14, first atom 1131 (139699 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 15, first atom 1127 (166747 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 1421 (325759 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 1127 (104697 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 18, first atom 964 (120419 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 19, first atom 965 (162229 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1716 (188067 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 21, first atom 1265 (114582 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1058 (144243 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 23, first atom 1418 (142011 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 24, first atom 1265 (177409 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 25, first atom 1105 (165521 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 26, first atom 1058 (102313 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 1258 (168020 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 28, first atom 1120 (158932 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1444 (108495 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 30, first atom 1131 (104438 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1050 (154537 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1274 (110216 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1580 (124251 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1463 (171080 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1463 (107756 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1419 (110690 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1463 (108044 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1405 (105362 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 40, first atom 1096 (117462 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1419 (102337 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1096 (105056 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1707 (247374 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1707 (131412 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1736 (107214 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1707 (236639 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 47, first atom 1269 (300191 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1268 (109503 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1579 (106236 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 50, first atom 1369 (100887 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1458 (142735 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1696 (152584 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1726 (122412 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1453 (106023 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1696 (171984 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1733 (161351 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1733 (144391 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1732 (107489 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1728 (121344 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1717 (178869 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 105, first atom 1716 (100848 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1319 (1072526 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1319 (166700 -> 100000)
+Warn: 227 atom(s) hit accel clamp on step 4, first atom 79 (173754 -> 100000)
+Warn: 88 atom(s) hit accel clamp on step 5, first atom 842 (107119 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 6, first atom 999 (107469 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 7, first atom 129 (133450 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 8, first atom 1047 (563983 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 9, first atom 842 (126296 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 10, first atom 1088 (223347 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 11, first atom 845 (138132 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 12, first atom 1149 (195757 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 13, first atom 1308 (200407 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 14, first atom 1088 (124275 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 15, first atom 1054 (109576 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 16, first atom 475 (169079 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 17, first atom 1102 (111004 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1227 (113853 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 19, first atom 1047 (103700 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 20, first atom 850 (183181 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 21, first atom 850 (167111 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 22, first atom 850 (150408 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 23, first atom 850 (101958 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 1262 (118285 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 25, first atom 1154 (138596 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 26, first atom 1154 (143926 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 27, first atom 1149 (169197 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 28, first atom 1149 (146126 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 29, first atom 1262 (195700 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 30, first atom 1269 (146216 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 849 (108446 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 32, first atom 850 (120698 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1407 (104661 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 1269 (195455 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1278 (128879 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1049 (259512 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1361 (100802 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 843 (159636 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1726 (138573 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1738 (486034 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1269 (440187 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1446 (136868 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 43, first atom 1420 (100062 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1725 (220172 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 45, first atom 1447 (220378 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1584 (123228 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1290 (113585 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 48, first atom 1420 (116506 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 49, first atom 843 (110617 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 50, first atom 1054 (172147 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 51, first atom 1269 (101831 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 52, first atom 1420 (152034 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1454 (423140 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1420 (137947 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1454 (266567 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 56, first atom 1454 (282141 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1455 (359420 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 58, first atom 1455 (159997 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1738 (222818 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1054 (108305 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 63, first atom 1062 (113358 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1725 (127752 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1733 (120065 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1714 (129107 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1733 (148544 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1733 (162255 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1740 (129524 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1737 (268740 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1737 (152635 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 84, first atom 1725 (140734 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1724 (105211 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1469 (130927 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 125, first atom 1742 (100104 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1541 (103159 -> 100000)
+Warn: 233 atom(s) hit accel clamp on step 1, first atom 79 (154239 -> 100000)
+Warn: 91 atom(s) hit accel clamp on step 2, first atom 530 (122318 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 3, first atom 768 (131032 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 4, first atom 820 (153981 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 5, first atom 968 (145425 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 6, first atom 832 (114073 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 7, first atom 1088 (322504 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 8, first atom 840 (182164 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 9, first atom 969 (163755 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 10, first atom 969 (150208 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 11, first atom 837 (120737 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 12, first atom 969 (250182 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 13, first atom 1049 (106710 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 14, first atom 1126 (105829 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 15, first atom 1282 (196638 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 16, first atom 1417 (341181 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 17, first atom 844 (199851 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 18, first atom 963 (120570 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 19, first atom 964 (143590 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 20, first atom 1044 (108466 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 21, first atom 1359 (137905 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 22, first atom 1057 (115428 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 23, first atom 1104 (219398 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 1043 (456987 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 1049 (288500 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 26, first atom 1414 (111791 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1042 (127650 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 839 (147667 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 29, first atom 1106 (131332 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 30, first atom 1106 (135575 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1459 (100438 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 32, first atom 1415 (466455 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1104 (160058 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1458 (101547 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1459 (107266 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1057 (131406 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1715 (144382 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1407 (101494 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1723 (242253 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 858 (395060 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1416 (118663 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1714 (103212 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1715 (236747 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 45, first atom 1407 (101926 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1802 (126003 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1730 (102267 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1467 (105927 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1725 (271518 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1365 (141797 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 51, first atom 1457 (100246 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1725 (131952 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1725 (243470 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1725 (103098 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1417 (100420 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1414 (115133 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1725 (131994 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1714 (128494 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1714 (107204 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1714 (128624 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1817 (277848 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1728 (231811 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 88 (153001 -> 100000)
+Warn: 222 atom(s) hit accel clamp on step 1, first atom 79 (160971 -> 100000)
+Warn: 94 atom(s) hit accel clamp on step 2, first atom 528 (121684 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 3, first atom 973 (103911 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 4, first atom 322 (131610 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 5, first atom 87 (131235 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 6, first atom 191 (114181 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 7, first atom 1050 (141525 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 8, first atom 841 (182608 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 9, first atom 970 (174219 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 10, first atom 970 (142321 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 11, first atom 859 (392538 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 12, first atom 970 (227654 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 13, first atom 860 (109993 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 14, first atom 1131 (152613 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 15, first atom 1127 (256332 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 16, first atom 1127 (116817 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 1127 (137466 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 18, first atom 964 (130210 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 19, first atom 965 (169141 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 1418 (181580 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 21, first atom 1300 (127086 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 22, first atom 1058 (102938 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 1050 (190766 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 24, first atom 1050 (123614 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 25, first atom 1127 (181850 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 26, first atom 1342 (118820 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1258 (154794 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 28, first atom 1736 (129024 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 29, first atom 1043 (111936 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 1269 (992301 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1127 (138489 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1419 (157674 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1056 (157787 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1015 (115776 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 35, first atom 1457 (119990 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1161 (127426 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1269 (217742 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1457 (104436 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1728 (104943 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1695 (124326 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1457 (106182 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1463 (136039 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 45, first atom 1450 (109919 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1718 (154367 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1450 (243578 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1463 (340039 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1463 (225879 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1706 (148656 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 51, first atom 1272 (202502 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 859 (115497 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1443 (146673 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1725 (255502 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1273 (123339 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1443 (148064 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1450 (219447 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1444 (105069 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1717 (124154 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1450 (140766 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1443 (113348 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1717 (313618 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1735 (122149 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1735 (146436 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 88, first atom 1809 (103592 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.29 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5753 / 5875 solvent mols in 334 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 38875 ms
+Warn: 17 atom(s) hit accel clamp on step 0, first atom 1021 (108573 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1143 (104845 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1635 (118212 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1703 (257027 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 4, first atom 1042 (131473 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1635 (105067 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1704 (207011 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 24, first atom 1703 (119236 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 178.01 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5755 / 5933 solvent mols in 336 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40133 ms
+Initializing solvent molecules...
+Solvent-free vol: 178.01 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5755 / 5933 solvent mols in 361 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41454 ms
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1316 (206939 -> 100000)
+Warn: 211 atom(s) hit accel clamp on step 1, first atom 79 (162880 -> 100000)
+Warn: 88 atom(s) hit accel clamp on step 2, first atom 528 (125404 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 3, first atom 1002 (116722 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 4, first atom 828 (165269 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 5, first atom 976 (136972 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 6, first atom 840 (103767 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 7, first atom 1086 (128432 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 8, first atom 848 (182800 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 9, first atom 977 (183388 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 10, first atom 977 (137725 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 11, first atom 845 (209897 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 12, first atom 977 (238048 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 13, first atom 1279 (318640 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 14, first atom 970 (105008 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 15, first atom 1099 (171129 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 16, first atom 853 (136782 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 17, first atom 1192 (227723 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 18, first atom 846 (110542 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 19, first atom 969 (101781 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 20, first atom 1295 (103731 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 21, first atom 1083 (213403 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1270 (108543 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 23, first atom 1125 (123704 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 1057 (116494 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1270 (416272 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 26, first atom 1270 (213053 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 27, first atom 847 (152674 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 28, first atom 853 (173183 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1058 (107407 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1468 (174087 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1270 (216524 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1112 (108108 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 1292 (186918 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 35, first atom 1270 (131482 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1270 (111671 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1730 (136479 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1805 (100972 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1270 (110765 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 40, first atom 1462 (154148 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1362 (121954 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1270 (150920 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1270 (254061 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 45, first atom 1719 (151904 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1727 (196891 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1270 (147667 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 48, first atom 1270 (105156 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1727 (112798 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1270 (191887 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1270 (139515 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1270 (174870 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1421 (101080 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1726 (117969 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1718 (141582 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1726 (108657 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1270 (118141 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1321 (201631 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1270 (115800 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1344 (116677 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1270 (118161 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1270 (111129 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1717 (144916 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 98, first atom 1717 (100486 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 102, first atom 1727 (130207 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1060 (100403 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1293 (131029 -> 100000)
+Warn: 214 atom(s) hit accel clamp on step 7, first atom 79 (173026 -> 100000)
+Warn: 81 atom(s) hit accel clamp on step 8, first atom 847 (348377 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 9, first atom 110 (235897 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 10, first atom 110 (100850 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 11, first atom 933 (240933 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 12, first atom 852 (123842 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 13, first atom 919 (113364 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 14, first atom 934 (152861 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 15, first atom 843 (108987 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 16, first atom 845 (114975 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 17, first atom 519 (116361 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 18, first atom 321 (135200 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 19, first atom 521 (210184 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 20, first atom 975 (117300 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 21, first atom 322 (101076 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 22, first atom 469 (122117 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 23, first atom 344 (184908 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 24, first atom 1267 (228784 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 25, first atom 852 (102306 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 26, first atom 1051 (144609 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 27, first atom 1267 (1361815 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 28, first atom 1260 (102381 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 29, first atom 1400 (443600 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 30, first atom 1268 (109722 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 31, first atom 824 (257429 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 32, first atom 1268 (225782 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 33, first atom 1110 (105550 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 34, first atom 1269 (134106 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 35, first atom 1417 (140387 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 36, first atom 1039 (115988 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 37, first atom 936 (116751 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 38, first atom 488 (300426 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 39, first atom 1042 (108648 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 40, first atom 936 (175724 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 41, first atom 1078 (205304 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 42, first atom 1078 (108046 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 43, first atom 1265 (270303 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 44, first atom 1319 (105061 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 45, first atom 1286 (109666 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 46, first atom 1418 (127759 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 47, first atom 953 (145527 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 48, first atom 1286 (172229 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 49, first atom 1270 (174637 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 50, first atom 1270 (282869 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 51, first atom 1270 (154427 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 52, first atom 1265 (106938 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 53, first atom 1098 (107887 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 54, first atom 1146 (166329 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 55, first atom 1146 (110438 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 56, first atom 1268 (170891 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 57, first atom 1286 (105827 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1146 (130714 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 59, first atom 1460 (112555 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 60, first atom 1442 (101485 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 61, first atom 1267 (227264 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 62, first atom 1146 (116125 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 63, first atom 1418 (103276 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1442 (107107 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 65, first atom 1144 (108860 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 66, first atom 1453 (166096 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1442 (116599 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 68, first atom 1713 (123211 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1713 (141263 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1704 (151153 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1451 (102287 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 72, first atom 1463 (132551 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 73, first atom 1452 (103780 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1457 (103069 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 75, first atom 979 (104248 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1653 (546097 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1713 (125425 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 78, first atom 1654 (574577 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 81, first atom 1450 (109679 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1267 (100040 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 83, first atom 1287 (108075 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1729 (103127 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1703 (233195 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 86, first atom 1287 (119770 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1534 (102989 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 90, first atom 1450 (300979 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1721 (126458 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 97, first atom 1546 (116411 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 109, first atom 1450 (101032 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 112, first atom 1650 (110477 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 132, first atom 1261 (373683 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 133, first atom 1261 (2222756 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 135, first atom 1261 (239088 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 136, first atom 1261 (247571 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 137, first atom 658 (182067 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 139, first atom 1554 (148382 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 142, first atom 1262 (116659 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 145, first atom 1626 (147686 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 146, first atom 1260 (233131 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 149, first atom 1262 (247680 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 150, first atom 1626 (108583 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 154, first atom 1260 (164099 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 155, first atom 1554 (108330 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 158, first atom 1555 (243984 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 159, first atom 1273 (108484 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 165, first atom 1261 (131692 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 1060 (162751 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1293 (145432 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1531 (105874 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1091 (117153 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1528 (105843 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1091 (184678 -> 100000)
+Warn: 217 atom(s) hit accel clamp on step 9, first atom 79 (175285 -> 100000)
+Warn: 92 atom(s) hit accel clamp on step 10, first atom 847 (346754 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 11, first atom 110 (269535 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 12, first atom 110 (118359 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 13, first atom 975 (115561 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 14, first atom 489 (107940 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 15, first atom 919 (105148 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 16, first atom 1079 (343367 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 17, first atom 972 (149527 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 18, first atom 1072 (116917 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 19, first atom 972 (161312 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 20, first atom 1045 (103486 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 21, first atom 823 (107383 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 22, first atom 1081 (329778 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 23, first atom 931 (108686 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 24, first atom 1077 (155709 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 25, first atom 848 (153292 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 26, first atom 312 (130907 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 27, first atom 1129 (107335 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 28, first atom 1076 (180164 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 29, first atom 1190 (104291 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 30, first atom 1045 (130745 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 31, first atom 1045 (253897 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1419 (133335 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 33, first atom 1463 (118674 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 34, first atom 1418 (102776 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 35, first atom 1288 (105988 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 36, first atom 1419 (148818 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 37, first atom 1045 (133913 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 38, first atom 1267 (110719 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 39, first atom 1288 (102179 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 40, first atom 1287 (124013 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 41, first atom 1287 (125376 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 42, first atom 1130 (105325 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1450 (137464 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 44, first atom 1037 (151574 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1411 (132311 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 46, first atom 1319 (118129 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1467 (184933 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1703 (124485 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 50, first atom 1122 (100980 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 51, first atom 1574 (301136 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1104 (109855 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1130 (120537 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1281 (186751 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1723 (119893 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1450 (329813 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1442 (332823 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1130 (104913 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1727 (124796 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1450 (135054 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1722 (108707 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 69, first atom 1713 (127818 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1720 (186036 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1720 (101932 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1722 (148920 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1720 (286093 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 76, first atom 1714 (123986 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1727 (128474 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1796 (119125 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1060 (131565 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1293 (153666 -> 100000)
+Warn: 212 atom(s) hit accel clamp on step 7, first atom 79 (189816 -> 100000)
+Warn: 90 atom(s) hit accel clamp on step 8, first atom 845 (111419 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 9, first atom 110 (273034 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 10, first atom 110 (119298 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 11, first atom 527 (166696 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 12, first atom 489 (128698 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 13, first atom 936 (121114 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 14, first atom 934 (123121 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 15, first atom 932 (141023 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 16, first atom 1045 (100419 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 17, first atom 1045 (123013 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 18, first atom 1047 (275430 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 19, first atom 475 (116158 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 20, first atom 1079 (130254 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 21, first atom 931 (109094 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 22, first atom 1098 (131309 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 23, first atom 848 (191005 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 24, first atom 1278 (111695 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 25, first atom 1078 (127465 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 26, first atom 1267 (182257 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 27, first atom 1045 (229607 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 28, first atom 1045 (212737 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 29, first atom 1267 (612515 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 30, first atom 1267 (2106224 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1260 (121103 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 32, first atom 1260 (133651 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 33, first atom 935 (147927 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 34, first atom 1260 (147591 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 35, first atom 1126 (130126 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 36, first atom 1098 (102360 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 37, first atom 1126 (120029 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 38, first atom 1287 (147033 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 39, first atom 1104 (118820 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 40, first atom 1104 (151621 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 41, first atom 1094 (115765 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 42, first atom 1262 (416680 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 43, first atom 1260 (102256 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1124 (105221 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 45, first atom 1269 (405876 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1269 (137362 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1104 (114837 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 48, first atom 1267 (279866 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1796 (203745 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 50, first atom 1267 (113852 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 51, first atom 1122 (114053 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 52, first atom 1442 (201988 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1720 (101556 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 54, first atom 1269 (135236 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 55, first atom 1269 (122773 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 56, first atom 1365 (105289 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1458 (232561 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1695 (835124 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 59, first atom 1716 (112248 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 60, first atom 1416 (105502 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1423 (204093 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 62, first atom 1267 (108252 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1420 (401655 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1420 (195005 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 67, first atom 1365 (122732 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 68, first atom 1721 (458766 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 69, first atom 1076 (107971 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 72, first atom 1791 (103954 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1691 (108154 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1260 (122232 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1715 (116811 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1720 (128084 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1720 (149623 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1720 (159045 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 103, first atom 1731 (125465 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.38 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5754 / 5878 solvent mols in 364 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40344 ms
+Warn: 24 atom(s) hit accel clamp on step 0, first atom 969 (167718 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1148 (129406 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1477 (125691 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 178.10 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5757 / 5936 solvent mols in 374 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40084 ms
+Initializing solvent molecules...
+Solvent-free vol: 178.10 Cell vol: 201.74 (ų / 1,000). Dims: 57.592705:.2 x 55.34 x 63.30 Å
+Added 5757 / 5936 solvent mols in 354 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39933 ms
+Warn: 2 atom(s) hit accel clamp on step 0, first atom 1519 (1501941 -> 100000)
+Warn: 227 atom(s) hit accel clamp on step 3, first atom 79 (163648 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 4, first atom 528 (122718 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 5, first atom 1009 (108181 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 6, first atom 322 (117795 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 7, first atom 983 (119789 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 8, first atom 852 (133308 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 9, first atom 1098 (236120 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 10, first atom 855 (180753 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 11, first atom 1117 (256979 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 12, first atom 1203 (173599 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 13, first atom 1098 (104024 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 14, first atom 1139 (322058 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 15, first atom 1058 (105334 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 16, first atom 1270 (180402 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 1139 (316350 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 18, first atom 1109 (221255 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 1139 (133529 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 20, first atom 1139 (210512 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 21, first atom 859 (130017 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 22, first atom 1270 (106050 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 23, first atom 1070 (110653 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 24, first atom 1270 (114941 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 1118 (170620 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 26, first atom 987 (104988 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1277 (104655 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 28, first atom 1064 (119421 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 29, first atom 1119 (126169 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1377 (137118 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 31, first atom 1277 (113209 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1435 (134271 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 33, first atom 1312 (100534 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1297 (122945 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1431 (317005 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 36, first atom 1057 (134529 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1166 (123916 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1470 (231656 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1049 (114157 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 40, first atom 1470 (292650 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1475 (136867 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1730 (118239 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 43, first atom 1475 (158176 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1475 (110135 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1470 (227249 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1297 (116158 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1463 (162161 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1463 (221771 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1743 (148743 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1057 (113073 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1270 (190803 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1463 (100150 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1057 (101136 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1731 (1065396 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1112 (111766 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1463 (103251 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1818 (103840 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1818 (121592 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1742 (176468 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1740 (144466 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 0, first atom 1096 (210970 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1298 (102072 -> 100000)
+Warn: 212 atom(s) hit accel clamp on step 6, first atom 79 (180505 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 7, first atom 847 (113016 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 8, first atom 110 (192244 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 9, first atom 322 (137610 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 10, first atom 527 (158422 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 11, first atom 489 (117984 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 12, first atom 926 (103829 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 13, first atom 349 (117981 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 14, first atom 850 (121360 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 15, first atom 153 (107277 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 16, first atom 1052 (141043 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 17, first atom 1052 (229713 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 18, first atom 475 (168366 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 19, first atom 1111 (108829 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 20, first atom 943 (156829 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 21, first atom 938 (152788 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 22, first atom 459 (199752 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 23, first atom 1108 (115402 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 24, first atom 1238 (143032 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 25, first atom 1126 (149675 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 26, first atom 1126 (132899 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 27, first atom 1265 (223024 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 28, first atom 1265 (130470 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 29, first atom 1085 (213208 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 30, first atom 1400 (116883 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 31, first atom 1059 (140906 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 32, first atom 1084 (195989 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 33, first atom 1293 (174411 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 34, first atom 1398 (115840 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 35, first atom 1267 (153537 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 36, first atom 1153 (144136 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 37, first atom 1084 (215151 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1637 (115602 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 39, first atom 1067 (100322 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 40, first atom 1447 (278926 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1394 (151689 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 42, first atom 1107 (201168 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 43, first atom 1447 (165585 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 44, first atom 1292 (159255 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1463 (180585 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1311 (227522 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 47, first atom 1293 (256534 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 48, first atom 1293 (166372 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 49, first atom 1293 (467073 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 50, first atom 1537 (143498 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 51, first atom 1273 (105600 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 52, first atom 1286 (114404 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1473 (288475 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1728 (205735 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1732 (103788 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1809 (103112 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1721 (132687 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1293 (188718 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 60, first atom 1110 (102644 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1794 (215581 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1794 (288764 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1107 (139300 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1702 (118403 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1293 (147798 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1293 (171122 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1714 (135706 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1285 (104979 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 0, first atom 1096 (207430 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1298 (106946 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1534 (111396 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1534 (118571 -> 100000)
+Warn: 222 atom(s) hit accel clamp on step 6, first atom 79 (163281 -> 100000)
+Warn: 96 atom(s) hit accel clamp on step 7, first atom 847 (108767 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 8, first atom 110 (221880 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 9, first atom 129 (121573 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 10, first atom 527 (164414 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 11, first atom 489 (144043 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 12, first atom 943 (192752 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 13, first atom 979 (100434 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 14, first atom 850 (132374 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 15, first atom 153 (185675 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 16, first atom 982 (108660 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 17, first atom 1052 (247412 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 18, first atom 1052 (150649 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 19, first atom 1088 (117238 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 20, first atom 938 (124392 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 21, first atom 1152 (217144 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 22, first atom 1127 (100003 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 23, first atom 1127 (105097 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 24, first atom 979 (171832 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 25, first atom 1113 (214793 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 1292 (116897 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 27, first atom 1058 (107265 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 28, first atom 1307 (100484 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1272 (110803 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1463 (135169 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 31, first atom 1166 (172866 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 32, first atom 1265 (344160 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1370 (122445 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1423 (105618 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 35, first atom 851 (121608 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 36, first atom 1466 (167598 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1423 (112773 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1045 (121159 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 39, first atom 1293 (101191 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 40, first atom 1059 (115275 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 41, first atom 1045 (285030 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1721 (367919 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1793 (142900 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1272 (136670 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1729 (147202 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1793 (113831 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1802 (120013 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1702 (124393 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1285 (108347 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 51, first atom 1425 (291948 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1425 (118561 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 53, first atom 1702 (127925 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 54, first atom 1285 (229767 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 55, first atom 1285 (198621 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1135 (102928 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1272 (198381 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1729 (343167 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 61, first atom 1447 (124498 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1447 (204150 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1447 (108194 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1794 (104422 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1466 (118671 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 0, first atom 1096 (210984 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1298 (124728 -> 100000)
+Warn: 222 atom(s) hit accel clamp on step 6, first atom 79 (188290 -> 100000)
+Warn: 91 atom(s) hit accel clamp on step 7, first atom 852 (127268 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 8, first atom 110 (187617 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 9, first atom 322 (115685 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 10, first atom 940 (309674 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 11, first atom 489 (109719 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 12, first atom 943 (251502 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 13, first atom 943 (137299 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 14, first atom 850 (146509 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 15, first atom 1054 (585737 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 16, first atom 982 (107699 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 17, first atom 1054 (132048 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 18, first atom 1071 (103868 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 19, first atom 519 (106496 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 20, first atom 938 (122741 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 21, first atom 1087 (289351 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 22, first atom 855 (203074 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 23, first atom 1152 (117342 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 24, first atom 1286 (182366 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 25, first atom 1344 (462717 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 26, first atom 1272 (387865 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 27, first atom 1052 (108052 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 28, first atom 1272 (400952 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1272 (310948 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 30, first atom 1085 (136335 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 31, first atom 1272 (175930 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 32, first atom 1280 (147809 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 33, first atom 1293 (307580 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 34, first atom 1293 (114907 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 35, first atom 1055 (105684 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 36, first atom 1044 (120673 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 37, first atom 1272 (111817 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 38, first atom 1152 (103209 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1293 (337482 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 1278 (294951 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 41, first atom 1267 (107999 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 42, first atom 1272 (180138 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 43, first atom 1462 (306844 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1468 (342528 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 45, first atom 859 (133978 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 46, first atom 1272 (186042 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1272 (505558 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1272 (568432 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 49, first atom 1023 (126962 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1468 (122740 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1727 (163839 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1468 (138380 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1468 (101003 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 55, first atom 1265 (214511 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1135 (158485 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1448 (136933 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1715 (100031 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 61, first atom 1272 (171841 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1463 (102274 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1726 (133231 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1265 (112262 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1446 (108131 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1274 (107019 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1729 (138805 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 70, first atom 1463 (151556 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1455 (124907 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1721 (102224 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1463 (198792 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1272 (234670 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1722 (121028 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1801 (190349 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 83, first atom 1803 (112468 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 86, first atom 1724 (367108 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 95, first atom 1712 (115609 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1808 (144632 -> 100000)
+Warn: 217 atom(s) hit accel clamp on step 3, first atom 79 (160899 -> 100000)
+Warn: 84 atom(s) hit accel clamp on step 4, first atom 528 (104752 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 5, first atom 1005 (101473 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 6, first atom 322 (138096 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 7, first atom 979 (120568 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 8, first atom 845 (108775 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 9, first atom 1094 (243087 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 10, first atom 848 (184531 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 11, first atom 1094 (173409 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 12, first atom 1060 (131354 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 13, first atom 1127 (220972 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 14, first atom 866 (150518 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 15, first atom 1054 (201746 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 1135 (219242 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 17, first atom 1519 (177926 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 18, first atom 1053 (111324 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 853 (184824 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 1374 (166398 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 849 (118444 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1139 (141916 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 23, first atom 1469 (100267 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 24, first atom 1114 (109228 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 25, first atom 1266 (248673 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 26, first atom 1054 (105463 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 27, first atom 1273 (102617 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 28, first atom 1459 (109368 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1729 (200784 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1669 (137684 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1373 (122097 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1402 (102733 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 34, first atom 1373 (108531 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 35, first atom 1382 (106974 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1466 (159229 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1450 (105472 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1466 (136839 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1450 (108707 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1467 (596516 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1458 (130474 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1451 (173964 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1467 (107368 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1450 (147042 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1736 (139769 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1274 (108530 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1450 (119716 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1467 (104447 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1669 (136265 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1730 (138422 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1273 (144481 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1273 (154402 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1732 (131708 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1661 (158101 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1734 (107055 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 77, first atom 1735 (114684 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 84, first atom 1737 (101467 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1736 (106373 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1736 (110329 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 90, first atom 1733 (478751 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1733 (105529 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1446 (323409 -> 100000)
+Warn: 254 atom(s) hit accel clamp on step 1, first atom 79 (159893 -> 100000)
+Warn: 90 atom(s) hit accel clamp on step 2, first atom 788 (111826 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 3, first atom 611 (179208 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 4, first atom 609 (108530 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 5, first atom 848 (104820 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 6, first atom 1051 (162960 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 7, first atom 1087 (129066 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 8, first atom 847 (140057 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 9, first atom 978 (159858 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 10, first atom 587 (114251 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 11, first atom 858 (260870 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 12, first atom 978 (222305 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 13, first atom 1042 (119245 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 14, first atom 1133 (139894 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 15, first atom 1151 (163695 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 16, first atom 846 (309365 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 17, first atom 1143 (163603 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 972 (104405 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 19, first atom 1134 (126859 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 1306 (153271 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 21, first atom 1292 (375757 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 22, first atom 1292 (132031 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 23, first atom 1126 (198701 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 24, first atom 1052 (129812 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 25, first atom 972 (101146 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 26, first atom 1271 (103808 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 27, first atom 1271 (120367 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 28, first atom 1126 (152094 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 29, first atom 846 (104440 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 30, first atom 1264 (101821 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 31, first atom 848 (139189 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1271 (131206 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1517 (159950 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 34, first atom 1271 (118053 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 35, first atom 1536 (111854 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1474 (192966 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1722 (110107 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1472 (104082 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1290 (240197 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 40, first atom 846 (310587 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 846 (126118 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1294 (108895 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 43, first atom 1290 (101076 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1724 (108842 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1701 (103372 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1736 (963453 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1737 (135694 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1740 (180426 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1540 (125034 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 61, first atom 1694 (116481 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1539 (203505 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1539 (108731 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1732 (135032 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1732 (115235 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1539 (120623 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 92, first atom 1733 (130293 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.18 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5751 / 5872 solvent mols in 329 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 38822 ms
+Warn: 16 atom(s) hit accel clamp on step 0, first atom 1009 (109707 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 1, first atom 1155 (137890 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1646 (106898 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1800 (130879 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 4, first atom 1056 (110267 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1800 (178314 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1715 (582493 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 10, first atom 1715 (160936 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1800 (130241 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.36 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5789 / 5978 solvent mols in 335 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 38653 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.36 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5789 / 5978 solvent mols in 356 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41527 ms
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1453 (214884 -> 100000)
+Warn: 262 atom(s) hit accel clamp on step 1, first atom 79 (162069 -> 100000)
+Warn: 90 atom(s) hit accel clamp on step 2, first atom 795 (104025 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 3, first atom 611 (177719 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 4, first atom 322 (137750 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 5, first atom 855 (110979 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 6, first atom 1049 (109314 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 7, first atom 1094 (102265 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 8, first atom 854 (195245 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 9, first atom 985 (253442 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 10, first atom 985 (250254 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 11, first atom 865 (100610 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 12, first atom 985 (108657 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 13, first atom 853 (118446 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 14, first atom 1140 (139072 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 15, first atom 1102 (160678 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 16, first atom 1271 (194428 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 17, first atom 1102 (179889 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 18, first atom 980 (149702 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 19, first atom 980 (106968 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 20, first atom 1073 (261384 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 21, first atom 1271 (100699 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 22, first atom 978 (268699 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 23, first atom 1073 (546231 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 1133 (140736 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 1059 (116057 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 26, first atom 1073 (217738 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 27, first atom 1073 (145210 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 28, first atom 1303 (102802 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 29, first atom 1279 (122135 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 30, first atom 1300 (121686 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 31, first atom 1278 (325706 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 32, first atom 1300 (117305 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 33, first atom 1066 (100377 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 34, first atom 1480 (103507 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1378 (113874 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 37, first atom 1542 (114993 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 38, first atom 1749 (136874 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1714 (119340 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 40, first atom 1735 (154778 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 41, first atom 1690 (111607 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 42, first atom 1737 (149075 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1690 (122594 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1315 (601337 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 45, first atom 1330 (119599 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 46, first atom 1315 (167001 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1271 (149240 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1749 (146066 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1271 (2080913 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1271 (1056497 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 51, first atom 1067 (702614 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1272 (117303 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1067 (106246 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 56, first atom 1755 (146370 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1760 (135561 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1755 (321136 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1751 (103783 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1819 (118005 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1755 (138958 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1751 (160155 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1278 (140712 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1750 (111537 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1736 (130585 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1297 (100199 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 0, first atom 1074 (185288 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1103 (100052 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1535 (107779 -> 100000)
+Warn: 218 atom(s) hit accel clamp on step 6, first atom 79 (167055 -> 100000)
+Warn: 84 atom(s) hit accel clamp on step 7, first atom 854 (116746 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 8, first atom 110 (221255 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 9, first atom 129 (125616 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 10, first atom 527 (131059 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 11, first atom 489 (115320 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 12, first atom 950 (262265 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 13, first atom 950 (132533 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 14, first atom 1061 (288520 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 15, first atom 1061 (338111 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 16, first atom 1061 (209670 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 17, first atom 127 (100592 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 18, first atom 989 (108151 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 19, first atom 1083 (109994 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 20, first atom 947 (181362 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 21, first atom 1299 (539176 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 22, first atom 862 (105604 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 23, first atom 1280 (162219 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 24, first atom 1142 (165774 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 25, first atom 1135 (150881 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 26, first atom 989 (105797 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 27, first atom 852 (118712 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 28, first atom 1054 (111913 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 29, first atom 1217 (117716 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 30, first atom 1092 (179444 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 31, first atom 1272 (122282 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 32, first atom 1051 (190574 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 1469 (107979 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1272 (982133 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1074 (150283 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 36, first atom 1280 (128275 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1734 (134628 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 38, first atom 1279 (272429 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1409 (168629 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1386 (121028 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 41, first atom 1074 (134740 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 42, first atom 1051 (137586 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1074 (100009 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1074 (114611 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1733 (179356 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1074 (128688 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1285 (112122 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1091 (134293 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 49, first atom 1473 (111993 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 1741 (119625 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1741 (288378 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1741 (121683 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 53, first atom 1280 (120026 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 54, first atom 1272 (134306 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1729 (173564 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1729 (104059 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1735 (401645 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1735 (183343 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1272 (106680 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1272 (175597 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 63, first atom 1735 (1394034 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1735 (110806 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1473 (113903 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 68, first atom 1463 (117652 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1745 (133626 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 74, first atom 1735 (175228 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1735 (101875 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1734 (220803 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1809 (143727 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 0, first atom 1074 (224031 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1305 (106154 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 2, first atom 1103 (101515 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1535 (101501 -> 100000)
+Warn: 220 atom(s) hit accel clamp on step 6, first atom 79 (189127 -> 100000)
+Warn: 90 atom(s) hit accel clamp on step 7, first atom 854 (116726 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 8, first atom 110 (189348 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 9, first atom 129 (107034 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 10, first atom 527 (112656 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 11, first atom 489 (182441 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 12, first atom 950 (104431 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 13, first atom 986 (104851 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 14, first atom 857 (189433 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 15, first atom 1061 (250504 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 16, first atom 989 (113121 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 17, first atom 127 (105539 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 18, first atom 1060 (134792 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 19, first atom 1159 (126656 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 20, first atom 1074 (132382 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 21, first atom 947 (100829 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 22, first atom 527 (129765 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 23, first atom 527 (131793 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 24, first atom 989 (105316 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 25, first atom 1292 (123185 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 26, first atom 989 (113174 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 27, first atom 875 (102851 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 28, first atom 1089 (109325 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 29, first atom 986 (101822 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 30, first atom 1110 (100706 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1462 (101608 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 32, first atom 1054 (104408 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 33, first atom 1279 (111009 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 34, first atom 1300 (116456 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 35, first atom 1110 (100048 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 36, first atom 1052 (111672 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 37, first atom 1077 (108130 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 38, first atom 847 (107025 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1279 (157822 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 1163 (124210 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 41, first atom 1052 (106754 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1121 (282216 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 43, first atom 843 (190066 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 44, first atom 1092 (282757 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 45, first atom 1469 (135725 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1473 (147166 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 47, first atom 1088 (105110 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1293 (105548 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1473 (149659 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1462 (119032 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1475 (120077 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1472 (110308 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 54, first atom 1462 (279002 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1469 (162318 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 56, first atom 1455 (161389 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1457 (121372 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 58, first atom 1351 (208609 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1469 (272029 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1463 (107560 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1457 (178363 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1463 (115896 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1455 (106621 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1455 (100542 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1463 (208043 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1477 (100083 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1469 (103221 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 71, first atom 1734 (268765 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1469 (132256 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1480 (115438 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1735 (269138 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1717 (106297 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 0, first atom 1432 (110793 -> 100000)
+Warn: 245 atom(s) hit accel clamp on step 1, first atom 79 (153984 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 2, first atom 797 (110844 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 3, first atom 613 (182042 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 4, first atom 611 (111958 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 5, first atom 805 (139087 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 6, first atom 1060 (179552 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 7, first atom 1096 (133102 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 8, first atom 856 (199065 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 9, first atom 987 (160750 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 10, first atom 987 (145924 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 11, first atom 867 (192682 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 12, first atom 876 (241136 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 13, first atom 1061 (101922 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 14, first atom 1142 (106120 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 15, first atom 1299 (165108 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 16, first atom 1297 (312239 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 17, first atom 1094 (142343 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 18, first atom 982 (193497 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 19, first atom 1143 (119106 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 20, first atom 1246 (108731 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 21, first atom 982 (105554 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 22, first atom 876 (113823 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 23, first atom 1093 (106448 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 24, first atom 1061 (198987 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 25, first atom 1067 (110770 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 26, first atom 1385 (100661 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 27, first atom 1319 (148966 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 28, first atom 1205 (116282 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 29, first atom 1314 (112240 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 30, first atom 1024 (119510 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 31, first atom 1299 (140124 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1172 (103177 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1299 (124244 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1695 (107560 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 35, first atom 1299 (106975 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1541 (102363 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 37, first atom 1693 (106338 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 38, first atom 1299 (117136 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1317 (281076 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1554 (108906 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 41, first atom 1675 (167765 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 42, first atom 1735 (228346 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 43, first atom 1734 (107765 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1539 (120389 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1526 (106396 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1737 (132026 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 51, first atom 1300 (144723 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1303 (100648 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1758 (168284 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1755 (140292 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1067 (105661 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1745 (139156 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1818 (129084 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1743 (123748 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1743 (134621 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1743 (201909 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1749 (104032 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1751 (129603 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1745 (117221 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 102, first atom 1743 (100223 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 103, first atom 1744 (107395 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.19 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5751 / 5872 solvent mols in 357 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40848 ms
+Warn: 17 atom(s) hit accel clamp on step 0, first atom 1030 (122613 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 1, first atom 1184 (149017 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 2, first atom 1057 (127674 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1057 (100533 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.37 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5789 / 5978 solvent mols in 354 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41502 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.37 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5789 / 5978 solvent mols in 338 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41419 ms
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 1104 (349050 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 2, first atom 1540 (135339 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1547 (101727 -> 100000)
+Warn: 225 atom(s) hit accel clamp on step 5, first atom 79 (176644 -> 100000)
+Warn: 89 atom(s) hit accel clamp on step 6, first atom 529 (107640 -> 100000)
+Warn: 47 atom(s) hit accel clamp on step 7, first atom 869 (104128 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 8, first atom 129 (107200 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 9, first atom 950 (351484 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 10, first atom 855 (138258 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 11, first atom 951 (336645 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 12, first atom 349 (248302 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 13, first atom 950 (129586 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 14, first atom 1052 (100880 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 15, first atom 1060 (114289 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 16, first atom 321 (112611 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 17, first atom 1142 (186642 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 18, first atom 1160 (111970 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 19, first atom 1142 (309637 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 20, first atom 320 (192437 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 21, first atom 1112 (535916 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 22, first atom 862 (155534 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 23, first atom 1081 (103448 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 24, first atom 1246 (124822 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 25, first atom 1273 (752533 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 26, first atom 1111 (221844 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 27, first atom 1135 (100251 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 28, first atom 1273 (127202 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 29, first atom 1280 (376990 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 30, first atom 1280 (201166 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 31, first atom 1052 (160609 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1273 (492008 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 33, first atom 1137 (124579 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 34, first atom 1274 (141048 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 35, first atom 1273 (197447 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 36, first atom 1110 (108201 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 37, first atom 1053 (112240 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 38, first atom 1112 (189574 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 39, first atom 1273 (109656 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 40, first atom 1274 (133226 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 41, first atom 1301 (104390 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1331 (148070 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 43, first atom 1280 (114647 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 44, first atom 1299 (211518 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 45, first atom 1299 (254345 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1475 (163953 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 47, first atom 1299 (163404 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1299 (126456 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1739 (133833 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1731 (168864 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1739 (1602674 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 53, first atom 1739 (432112 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1739 (280634 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1739 (298085 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1739 (361979 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1273 (114764 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1739 (150603 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1740 (126045 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1778 (104317 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 62, first atom 1743 (101413 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1746 (133224 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1743 (113540 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1778 (108466 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1778 (118848 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1747 (113830 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1302 (116404 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1740 (113973 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 100, first atom 1730 (109316 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 0, first atom 1268 (155370 -> 100000)
+Warn: 264 atom(s) hit accel clamp on step 8, first atom 79 (138716 -> 100000)
+Warn: 101 atom(s) hit accel clamp on step 9, first atom 797 (124881 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 10, first atom 110 (241637 -> 100000)
+Warn: 60 atom(s) hit accel clamp on step 11, first atom 129 (127560 -> 100000)
+Warn: 64 atom(s) hit accel clamp on step 12, first atom 615 (123381 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 13, first atom 855 (113691 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 14, first atom 934 (108567 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 15, first atom 369 (177241 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 16, first atom 947 (190652 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 17, first atom 1104 (129250 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 18, first atom 990 (120785 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 19, first atom 1060 (136591 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 20, first atom 1060 (114959 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 21, first atom 129 (106412 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 22, first atom 348 (153873 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 23, first atom 987 (103460 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 24, first atom 1060 (163659 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 25, first atom 1094 (423405 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 26, first atom 127 (169235 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 27, first atom 1060 (131192 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 28, first atom 990 (104267 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 29, first atom 944 (113642 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 30, first atom 1062 (239543 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 31, first atom 1062 (264961 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 32, first atom 949 (112371 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 33, first atom 1060 (127088 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 34, first atom 950 (104605 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 35, first atom 1091 (330764 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 36, first atom 1060 (119150 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 37, first atom 1031 (268360 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 38, first atom 1060 (180024 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 39, first atom 1060 (137802 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 40, first atom 867 (137021 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 41, first atom 1060 (146039 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 42, first atom 1296 (146180 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 43, first atom 1075 (125022 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 44, first atom 1524 (184528 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 45, first atom 1075 (134773 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1075 (192929 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 47, first atom 949 (174917 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 48, first atom 949 (174504 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 49, first atom 1065 (114172 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 50, first atom 951 (149695 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 51, first atom 949 (175199 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 52, first atom 949 (242171 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 53, first atom 947 (136851 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 54, first atom 948 (236509 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 55, first atom 1219 (108682 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 56, first atom 1303 (308560 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 57, first atom 1063 (215947 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 58, first atom 1063 (128730 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 59, first atom 950 (139011 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 60, first atom 1296 (266324 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 61, first atom 1062 (316825 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 62, first atom 1091 (144294 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 63, first atom 948 (177094 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 64, first atom 1061 (136898 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 65, first atom 1060 (135044 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 66, first atom 1060 (127505 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 67, first atom 945 (127604 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 68, first atom 1067 (346950 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 69, first atom 1067 (222018 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 70, first atom 1060 (113838 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 71, first atom 1298 (129876 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 72, first atom 1067 (126593 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 73, first atom 1061 (106046 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1713 (146386 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 75, first atom 1815 (3011295 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 76, first atom 1815 (1531442 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 77, first atom 1075 (133751 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1815 (104995 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 82, first atom 1818 (208346 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1816 (151147 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1818 (445144 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 86, first atom 1755 (122603 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 87, first atom 1352 (110220 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1821 (112123 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1755 (107898 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1819 (253729 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 99, first atom 1751 (132285 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 100, first atom 1814 (192453 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 104, first atom 1817 (123833 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 109, first atom 1818 (108354 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 120, first atom 1815 (101171 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 0, first atom 1075 (199242 -> 100000)
+Warn: 225 atom(s) hit accel clamp on step 5, first atom 79 (192185 -> 100000)
+Warn: 88 atom(s) hit accel clamp on step 6, first atom 529 (105926 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 7, first atom 521 (132692 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 8, first atom 110 (110133 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 9, first atom 528 (125853 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 10, first atom 855 (141647 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 11, first atom 951 (323074 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 12, first atom 349 (260721 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 13, first atom 1060 (106898 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 14, first atom 1075 (126862 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 15, first atom 1060 (127396 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 16, first atom 1060 (143885 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 1305 (168544 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 18, first atom 1280 (2133665 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 19, first atom 1146 (154297 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 20, first atom 1273 (555613 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 21, first atom 863 (145399 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 22, first atom 1062 (189901 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 23, first atom 1062 (153625 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 24, first atom 1060 (111410 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 25, first atom 1092 (149487 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 26, first atom 1302 (155776 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 27, first atom 1280 (114223 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 28, first atom 1135 (119115 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 29, first atom 1273 (141647 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1300 (107475 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1305 (164166 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 32, first atom 1306 (119778 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 1730 (194022 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1417 (113760 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 36, first atom 1478 (536208 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 37, first atom 1060 (108171 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1300 (132072 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1741 (442495 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 40, first atom 1300 (127352 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1822 (109898 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1091 (362656 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 43, first atom 1739 (167407 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1739 (186002 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 45, first atom 1321 (197879 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1468 (428730 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1468 (164712 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 49, first atom 1301 (384097 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1332 (100630 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 51, first atom 1301 (151315 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1469 (278385 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1746 (121674 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1459 (117358 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1820 (114920 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 57, first atom 1468 (185224 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1746 (104169 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1711 (104862 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 62, first atom 1273 (100497 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1467 (201932 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1467 (235850 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 65, first atom 1460 (104832 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 67, first atom 1475 (131873 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1467 (102800 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1721 (101428 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1467 (108770 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1473 (121476 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1721 (110568 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 76, first atom 1446 (126322 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1721 (107865 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1453 (173861 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1740 (105764 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 0, first atom 1106 (339156 -> 100000)
+Warn: 213 atom(s) hit accel clamp on step 1, first atom 98 (151674 -> 100000)
+Warn: 86 atom(s) hit accel clamp on step 2, first atom 529 (122691 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 3, first atom 1014 (110809 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 4, first atom 322 (137277 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 5, first atom 988 (139130 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 6, first atom 852 (126934 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 7, first atom 982 (143882 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 8, first atom 860 (181874 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 9, first atom 989 (118125 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 10, first atom 1086 (100447 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 11, first atom 857 (156902 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 12, first atom 981 (122584 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 13, first atom 981 (106716 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 14, first atom 1282 (122427 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 15, first atom 1240 (100624 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 16, first atom 865 (135835 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 17, first atom 1204 (109867 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 18, first atom 1449 (104091 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 19, first atom 1735 (228705 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 20, first atom 1204 (129600 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 21, first atom 878 (116477 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 22, first atom 1732 (282497 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 1097 (201961 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 24, first atom 855 (116937 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 25, first atom 1275 (691360 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 26, first atom 1086 (108679 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1417 (105405 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1741 (107962 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1137 (174301 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 30, first atom 1748 (161754 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 878 (131885 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 32, first atom 1491 (163023 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 33, first atom 1417 (169878 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1479 (167900 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1306 (105141 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 36, first atom 1732 (371058 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1732 (165027 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 38, first atom 1816 (152163 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1748 (151235 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1796 (129801 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 42, first atom 1447 (108283 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 44, first atom 1137 (159646 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 46, first atom 1418 (112369 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 47, first atom 1451 (121937 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 48, first atom 1455 (130296 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1742 (161905 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1806 (111942 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1743 (121829 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 53, first atom 1732 (115271 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1732 (119925 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 55, first atom 1741 (176737 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1745 (101987 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1733 (195070 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 58, first atom 1733 (168171 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1733 (262672 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1748 (151690 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 63, first atom 1733 (242613 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1748 (113593 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.19 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5752 / 5872 solvent mols in 344 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39210 ms
+Warn: 27 atom(s) hit accel clamp on step 0, first atom 1032 (138457 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 1, first atom 1059 (119063 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1059 (149987 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 3, first atom 1309 (161996 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1059 (111813 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1646 (106086 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1074 (110811 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1074 (133726 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 10, first atom 1074 (114671 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 16, first atom 1074 (108493 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.37 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5791 / 5978 solvent mols in 336 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41144 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.37 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5791 / 5978 solvent mols in 337 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40253 ms
+Warn: 12 atom(s) hit accel clamp on step 0, first atom 88 (259821 -> 100000)
+Warn: 241 atom(s) hit accel clamp on step 1, first atom 98 (148736 -> 100000)
+Warn: 96 atom(s) hit accel clamp on step 2, first atom 529 (121684 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 3, first atom 1014 (112411 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 4, first atom 322 (126967 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 5, first atom 988 (132986 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 6, first atom 852 (112622 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 7, first atom 1062 (174297 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 8, first atom 860 (182746 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 9, first atom 989 (300596 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 10, first atom 989 (205388 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 11, first atom 863 (112270 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 12, first atom 989 (119089 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 13, first atom 1148 (139553 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 14, first atom 864 (117622 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 15, first atom 982 (104961 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 16, first atom 865 (124599 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 17, first atom 865 (195843 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 18, first atom 984 (513738 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 19, first atom 984 (143336 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 20, first atom 984 (1392739 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 21, first atom 984 (116505 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 22, first atom 1069 (206904 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 23, first atom 1069 (242690 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 24, first atom 1282 (113317 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 989 (102801 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 26, first atom 1475 (2124221 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 27, first atom 859 (153539 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 28, first atom 1282 (100121 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1284 (185822 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1452 (231995 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1062 (100588 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 32, first atom 1284 (122884 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 33, first atom 1062 (124682 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1379 (101704 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1724 (100369 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 36, first atom 1748 (193087 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1748 (200018 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1469 (198320 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1447 (151415 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 40, first atom 1123 (100206 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1811 (107153 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1475 (247173 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 44, first atom 1425 (143818 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 46, first atom 1481 (165394 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1734 (106803 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1481 (136513 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 50, first atom 1734 (159320 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 51, first atom 1476 (129404 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 52, first atom 1481 (105344 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1734 (104793 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1741 (119735 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 56, first atom 1748 (133002 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1745 (237558 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1748 (138395 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 878 (103113 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1742 (233738 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1748 (308668 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1748 (102284 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1747 (606490 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1747 (568684 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1481 (150545 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 73, first atom 1741 (120992 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 75, first atom 1486 (105685 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1742 (127274 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 95, first atom 1741 (105797 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 0, first atom 88 (253343 -> 100000)
+Warn: 240 atom(s) hit accel clamp on step 1, first atom 98 (153559 -> 100000)
+Warn: 95 atom(s) hit accel clamp on step 2, first atom 529 (125121 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 3, first atom 1014 (116698 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 4, first atom 322 (138198 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 5, first atom 988 (143008 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 6, first atom 857 (132326 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 7, first atom 1062 (233600 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 8, first atom 860 (183148 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 9, first atom 989 (213509 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 10, first atom 989 (154188 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 11, first atom 857 (117323 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 12, first atom 989 (236980 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 13, first atom 1144 (108467 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 14, first atom 1062 (126099 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 15, first atom 982 (101633 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 16, first atom 865 (197181 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 17, first atom 1054 (136962 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 18, first atom 865 (122305 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 984 (111310 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 20, first atom 984 (2094365 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 21, first atom 878 (278197 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 22, first atom 1058 (121013 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 23, first atom 1086 (104662 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 24, first atom 1167 (117674 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 1077 (102896 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 26, first atom 1275 (124772 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1282 (119406 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 28, first atom 1379 (123952 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 30, first atom 1282 (103049 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1077 (146813 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 32, first atom 1294 (135462 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 33, first atom 1114 (101427 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 34, first atom 1749 (229450 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 35, first atom 1748 (101759 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1417 (120043 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1716 (102275 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 39, first atom 1476 (103379 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 40, first atom 878 (152024 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 41, first atom 1732 (185082 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1478 (118956 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 878 (101824 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1456 (151762 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1487 (108823 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1711 (435206 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 47, first atom 1712 (123458 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1711 (143816 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 49, first atom 1741 (106698 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 50, first atom 1481 (128753 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1732 (139049 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 54, first atom 1136 (103897 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1712 (105163 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1748 (145092 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 60, first atom 1742 (161492 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 62, first atom 1733 (267604 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 63, first atom 1746 (188506 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1743 (111237 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 65, first atom 1741 (169811 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1282 (104697 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1733 (131470 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 85, first atom 1741 (108867 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1741 (123853 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 0, first atom 88 (156601 -> 100000)
+Warn: 239 atom(s) hit accel clamp on step 1, first atom 98 (155957 -> 100000)
+Warn: 93 atom(s) hit accel clamp on step 2, first atom 529 (125059 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 3, first atom 1014 (120220 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 4, first atom 322 (137644 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 5, first atom 988 (140455 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 6, first atom 857 (166227 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 7, first atom 1062 (116353 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 8, first atom 860 (183003 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 9, first atom 989 (132406 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 10, first atom 1208 (107842 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 11, first atom 857 (101449 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 12, first atom 1136 (194452 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 13, first atom 1148 (141699 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 14, first atom 1240 (167051 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 15, first atom 982 (140881 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 16, first atom 1275 (128803 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 17, first atom 1103 (111083 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 18, first atom 984 (383606 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 19, first atom 984 (345121 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 1303 (240407 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 21, first atom 878 (108029 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 22, first atom 1086 (117656 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 23, first atom 1137 (216747 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 24, first atom 1137 (296797 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 25, first atom 1086 (100136 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 26, first atom 1308 (119112 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 1124 (124682 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 28, first atom 865 (122828 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 29, first atom 1124 (169236 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 30, first atom 1282 (137970 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 31, first atom 1332 (100995 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 32, first atom 1062 (101731 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 33, first atom 1123 (176300 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1723 (100038 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 35, first atom 1417 (109306 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 989 (142712 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 38, first atom 1723 (109108 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1589 (110247 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 40, first atom 1388 (143236 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1732 (135113 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1489 (103079 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1732 (131362 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1732 (161218 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1736 (129493 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 49, first atom 1282 (267260 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 52, first atom 1481 (133862 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 54, first atom 1383 (101062 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1733 (111889 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1425 (139256 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1463 (112612 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1475 (100123 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1476 (102939 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1481 (103431 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 78, first atom 1476 (180879 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1742 (495725 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1742 (793696 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.22 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5751 / 5873 solvent mols in 336 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40320 ms
+Warn: 26 atom(s) hit accel clamp on step 0, first atom 981 (235102 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1061 (118256 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 995 (116214 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1648 (106268 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.40 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5791 / 5979 solvent mols in 347 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40981 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.40 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5791 / 5979 solvent mols in 338 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39088 ms
+Warn: 9 atom(s) hit accel clamp on step 0, first atom 88 (115421 -> 100000)
+Warn: 245 atom(s) hit accel clamp on step 1, first atom 79 (166706 -> 100000)
+Warn: 98 atom(s) hit accel clamp on step 2, first atom 529 (118893 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 3, first atom 1018 (114220 -> 100000)
+Warn: 55 atom(s) hit accel clamp on step 4, first atom 322 (112041 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 5, first atom 849 (104857 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 6, first atom 349 (100985 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 7, first atom 986 (234559 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 8, first atom 864 (182625 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 9, first atom 528 (104501 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 10, first atom 993 (117104 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 11, first atom 861 (159278 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 12, first atom 993 (160750 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 13, first atom 1057 (104953 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 14, first atom 338 (141754 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 15, first atom 1147 (100456 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 16, first atom 869 (190975 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 17, first atom 869 (179396 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 18, first atom 862 (178805 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 19, first atom 988 (245947 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 20, first atom 1057 (106631 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1457 (358365 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 22, first atom 1099 (195891 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 23, first atom 1099 (250709 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 24, first atom 1073 (113860 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 25, first atom 859 (114117 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 26, first atom 1287 (161611 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 27, first atom 1376 (105029 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 28, first atom 869 (125619 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 29, first atom 862 (187548 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 30, first atom 1279 (100883 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 31, first atom 1286 (108946 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1320 (101100 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 33, first atom 1439 (154038 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1307 (107911 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 35, first atom 1320 (141965 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 36, first atom 1292 (182158 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 37, first atom 1300 (115574 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1308 (101714 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 39, first atom 1308 (155920 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 40, first atom 1067 (202906 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 41, first atom 1286 (156861 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 42, first atom 1305 (117210 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 43, first atom 1286 (234307 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 44, first atom 1736 (127150 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 45, first atom 1735 (154184 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 46, first atom 1485 (170361 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 47, first atom 1735 (130621 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 48, first atom 1743 (116741 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1081 (105832 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 50, first atom 862 (177161 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 51, first atom 1485 (146295 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 52, first atom 1287 (135344 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 53, first atom 1300 (407910 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 58, first atom 1749 (119332 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 59, first atom 1485 (108599 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1750 (115147 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 63, first atom 1749 (115531 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1743 (123738 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 69, first atom 1743 (644399 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 70, first atom 1743 (118824 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1744 (111896 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 74, first atom 1474 (170641 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 75, first atom 1479 (376383 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 77, first atom 1481 (265234 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1481 (188456 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 79, first atom 1751 (136932 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1743 (272437 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1743 (277865 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 82, first atom 1745 (109533 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 0, first atom 1330 (141555 -> 100000)
+Warn: 242 atom(s) hit accel clamp on step 1, first atom 79 (164673 -> 100000)
+Warn: 97 atom(s) hit accel clamp on step 2, first atom 529 (120996 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 3, first atom 1018 (114655 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 4, first atom 322 (104113 -> 100000)
+Warn: 50 atom(s) hit accel clamp on step 5, first atom 849 (106648 -> 100000)
+Warn: 44 atom(s) hit accel clamp on step 6, first atom 349 (113813 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 7, first atom 986 (175055 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 8, first atom 864 (181751 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 9, first atom 528 (114400 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 10, first atom 993 (172262 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 11, first atom 1140 (227943 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 12, first atom 993 (205853 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 13, first atom 1057 (112747 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 14, first atom 1142 (106919 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 15, first atom 1148 (433853 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 16, first atom 1066 (101274 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 17, first atom 1292 (106054 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 18, first atom 1148 (208765 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 19, first atom 988 (189509 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 20, first atom 988 (111611 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 21, first atom 985 (217958 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 22, first atom 1068 (155160 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 23, first atom 859 (120874 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 24, first atom 1117 (109452 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 25, first atom 1739 (239203 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 26, first atom 858 (117786 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 27, first atom 1081 (104710 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1148 (114865 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 29, first atom 1750 (231722 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 30, first atom 1148 (132046 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1093 (118343 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 32, first atom 1383 (139244 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 33, first atom 1415 (144324 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 34, first atom 1286 (100384 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 35, first atom 1418 (111551 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 36, first atom 1306 (672586 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 37, first atom 1306 (126120 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 38, first atom 1298 (121015 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 39, first atom 1480 (204912 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 40, first atom 1297 (127672 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 41, first atom 1485 (224903 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 42, first atom 1286 (104588 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 43, first atom 1481 (280166 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 44, first atom 1485 (800494 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 45, first atom 1460 (593656 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1740 (151832 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 47, first atom 1458 (115857 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 48, first atom 1457 (159580 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 50, first atom 1286 (106963 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 51, first atom 1745 (112750 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1457 (100185 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 55, first atom 1458 (115540 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 56, first atom 1286 (100925 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 57, first atom 1485 (173756 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1485 (149586 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1750 (100108 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 60, first atom 1751 (210336 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1458 (124921 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.21 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5750 / 5873 solvent mols in 348 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40977 ms
+Warn: 57 atom(s) hit accel clamp on step 0, first atom 351 (103251 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 1, first atom 1052 (109047 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 2, first atom 1305 (106809 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 3, first atom 1281 (182675 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 4, first atom 1181 (112961 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 5, first atom 1314 (130598 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1281 (149672 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 7, first atom 1281 (162083 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1498 (115148 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1541 (135264 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 10, first atom 1314 (110290 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 12, first atom 1306 (190905 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 13, first atom 1281 (105171 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1281 (113307 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1281 (128701 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1281 (111451 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 23, first atom 1306 (110412 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.40 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5791 / 5979 solvent mols in 349 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42158 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.40 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5791 / 5979 solvent mols in 335 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40001 ms
+Warn: 39 atom(s) hit accel clamp on step 0, first atom 985 (154382 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 1, first atom 1066 (115408 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 2, first atom 1066 (112526 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 3, first atom 1286 (364615 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 5, first atom 1140 (105406 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 6, first atom 1286 (359354 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 7, first atom 1286 (102759 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1503 (100189 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1286 (140114 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 10, first atom 1286 (141369 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 11, first atom 1320 (143124 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 13, first atom 1286 (101233 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 16, first atom 1286 (179222 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 17, first atom 1286 (150339 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 19, first atom 1286 (113485 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.40 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5791 / 5979 solvent mols in 379 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42515 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.40 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5791 / 5979 solvent mols in 343 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40314 ms
+Warn: 43 atom(s) hit accel clamp on step 0, first atom 985 (285591 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 1, first atom 1081 (340248 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 2, first atom 1058 (110250 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 3, first atom 1286 (162121 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 4, first atom 1295 (124877 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 5, first atom 1286 (188573 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1286 (101055 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 7, first atom 1690 (100955 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1286 (141232 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1286 (105428 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 10, first atom 1081 (156663 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1286 (104337 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 12, first atom 1286 (124520 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1286 (138300 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1286 (173903 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 16, first atom 1297 (102197 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1822 (105363 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 19, first atom 1503 (119827 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.40 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5791 / 5979 solvent mols in 330 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42191 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.40 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5791 / 5979 solvent mols in 362 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41626 ms
+Warn: 12 atom(s) hit accel clamp on step 0, first atom 851 (178413 -> 100000)
+Warn: 236 atom(s) hit accel clamp on step 1, first atom 79 (162244 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 2, first atom 611 (122531 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 3, first atom 1022 (112237 -> 100000)
+Warn: 45 atom(s) hit accel clamp on step 4, first atom 322 (103568 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 5, first atom 996 (130045 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 6, first atom 349 (106158 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 7, first atom 1150 (123345 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 8, first atom 1000 (105762 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 9, first atom 997 (174495 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 10, first atom 997 (134430 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 11, first atom 1105 (147464 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 12, first atom 997 (217497 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 13, first atom 1071 (171783 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 14, first atom 1116 (207200 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 15, first atom 992 (107187 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 16, first atom 1150 (149701 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 17, first atom 1114 (100888 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 18, first atom 992 (264035 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 19, first atom 1153 (182843 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 20, first atom 991 (261750 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 21, first atom 1290 (114558 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 22, first atom 1115 (100867 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 23, first atom 1103 (147711 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 24, first atom 1114 (106379 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 25, first atom 1429 (118486 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 26, first atom 1541 (102794 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 27, first atom 1290 (120132 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 28, first atom 1315 (146694 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 29, first atom 1311 (175646 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 30, first atom 1101 (145974 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 31, first atom 1290 (155721 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 32, first atom 1130 (165993 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 33, first atom 1538 (108740 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 34, first atom 1085 (123174 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 36, first atom 1316 (107186 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 37, first atom 1085 (112814 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 38, first atom 1324 (117486 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 39, first atom 1122 (138566 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1290 (113816 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 41, first atom 1311 (105587 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 42, first atom 1101 (224309 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 43, first atom 1679 (126405 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 45, first atom 1311 (232606 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1552 (127043 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 47, first atom 1538 (133091 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 48, first atom 1712 (142696 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 49, first atom 1311 (101850 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 53, first atom 1549 (160290 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 54, first atom 1549 (136488 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 55, first atom 1071 (109943 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 57, first atom 1538 (121966 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 59, first atom 1539 (108636 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.32 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5752 / 5876 solvent mols in 370 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39599 ms
+Warn: 60 atom(s) hit accel clamp on step 0, first atom 351 (113014 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 1, first atom 1076 (106570 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 2, first atom 1285 (114375 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 3, first atom 1285 (154912 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 4, first atom 1285 (314938 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 5, first atom 1285 (127503 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1405 (106976 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 7, first atom 1285 (257711 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 8, first atom 1285 (176017 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1539 (130712 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 11, first atom 1285 (130680 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 12, first atom 1310 (245741 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 13, first atom 1318 (125034 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1285 (105079 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1318 (100624 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 16, first atom 1318 (131845 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 20, first atom 1084 (114309 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.50 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5792 / 5982 solvent mols in 367 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42638 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.50 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5792 / 5982 solvent mols in 339 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41240 ms
+Warn: 5 atom(s) hit accel clamp on step 0, first atom 1069 (131580 -> 100000)
+Warn: 298 atom(s) hit accel clamp on step 1, first atom 79 (166205 -> 100000)
+Warn: 101 atom(s) hit accel clamp on step 2, first atom 535 (123100 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 3, first atom 1024 (110972 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 4, first atom 324 (131305 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 5, first atom 812 (105250 -> 100000)
+Warn: 58 atom(s) hit accel clamp on step 6, first atom 621 (188465 -> 100000)
+Warn: 49 atom(s) hit accel clamp on step 7, first atom 1113 (120932 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 8, first atom 870 (183146 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 9, first atom 999 (107437 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 10, first atom 867 (101258 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 11, first atom 873 (111360 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 12, first atom 1113 (207942 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 13, first atom 612 (100225 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 14, first atom 994 (114503 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 15, first atom 857 (109391 -> 100000)
+Warn: 42 atom(s) hit accel clamp on step 16, first atom 875 (197075 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 17, first atom 1120 (117000 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 18, first atom 536 (353090 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 19, first atom 1040 (115339 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 20, first atom 1074 (101800 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 21, first atom 1074 (297665 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 22, first atom 1087 (182043 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 23, first atom 1327 (122035 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 24, first atom 627 (111292 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 25, first atom 1073 (153993 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 26, first atom 1044 (100437 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 27, first atom 869 (154465 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 28, first atom 1079 (261073 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 29, first atom 1079 (147172 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 30, first atom 1318 (153769 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 31, first atom 1484 (119092 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 32, first atom 1327 (125691 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 33, first atom 1044 (116102 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 34, first atom 1044 (341688 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 35, first atom 1314 (217339 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 36, first atom 1079 (103367 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 37, first atom 1074 (127028 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 38, first atom 1454 (161895 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 39, first atom 1087 (140938 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 40, first atom 1482 (127287 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 41, first atom 1482 (223275 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 1087 (116189 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 43, first atom 1299 (106790 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 44, first atom 1483 (115233 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 45, first atom 1293 (124239 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 46, first atom 1087 (169596 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 47, first atom 1293 (107272 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 48, first atom 1483 (403258 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 49, first atom 1482 (128102 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 50, first atom 1314 (200523 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 51, first atom 1482 (103604 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 52, first atom 1387 (104379 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 53, first atom 1543 (109208 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 54, first atom 1483 (105421 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 55, first atom 1314 (138749 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 56, first atom 1312 (129058 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 57, first atom 1483 (254558 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 58, first atom 1539 (122160 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 59, first atom 1533 (175466 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1482 (108584 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1746 (107551 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 62, first atom 1533 (114272 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 63, first atom 1482 (200010 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1755 (105373 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 66, first atom 1482 (138727 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 67, first atom 1538 (103625 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1484 (119040 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 70, first atom 1545 (153255 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 71, first atom 1545 (275682 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1482 (133503 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1482 (100900 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 78, first atom 1548 (135675 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 87, first atom 1755 (100879 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 102, first atom 1317 (130139 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.29 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5751 / 5875 solvent mols in 334 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40301 ms
+Warn: 55 atom(s) hit accel clamp on step 0, first atom 353 (116157 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 1, first atom 1078 (102593 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 2, first atom 1490 (147232 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 3, first atom 1288 (193242 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 4, first atom 1288 (226011 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 5, first atom 1536 (200090 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1288 (150684 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 7, first atom 1288 (166095 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1501 (111096 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 9, first atom 1086 (106306 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1321 (106682 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 12, first atom 1313 (427048 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 13, first atom 1288 (100284 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1288 (120530 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1288 (110101 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 19, first atom 1086 (140293 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 20, first atom 1321 (151575 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1288 (104506 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1288 (104063 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 338 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41180 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 352 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41936 ms
+Warn: 35 atom(s) hit accel clamp on step 0, first atom 991 (104416 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 1, first atom 1064 (120522 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 2, first atom 1072 (110150 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 3, first atom 1064 (101060 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1637 (110186 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 5, first atom 1064 (122357 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 6, first atom 1293 (500947 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 7, first atom 1327 (116430 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 8, first atom 1064 (103564 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 9, first atom 1320 (112302 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 10, first atom 1327 (110573 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1506 (114181 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 12, first atom 1506 (104421 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1294 (118262 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1306 (101261 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 17, first atom 1327 (109967 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1822 (109011 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 334 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 38923 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 342 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42371 ms
+Warn: 50 atom(s) hit accel clamp on step 0, first atom 991 (293120 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 1, first atom 1072 (103976 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 2, first atom 1293 (360465 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1293 (268066 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 4, first atom 1293 (233914 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 5, first atom 1064 (142567 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 6, first atom 1327 (117169 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 12, first atom 1087 (116049 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1327 (100918 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 355 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41641 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 334 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41124 ms
+Warn: 44 atom(s) hit accel clamp on step 0, first atom 991 (136319 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 1, first atom 1072 (119972 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 2, first atom 1293 (518483 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1293 (480391 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1293 (243878 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 5, first atom 1302 (132707 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 6, first atom 1293 (192065 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 10, first atom 1318 (125268 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1506 (138957 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 12, first atom 1293 (119977 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 13, first atom 1293 (113599 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 15, first atom 1293 (155490 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1293 (148033 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 19, first atom 1293 (142083 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 21, first atom 1293 (202298 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 22, first atom 1293 (166842 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 24, first atom 1293 (177441 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 25, first atom 1293 (118241 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 27, first atom 1293 (138178 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 30, first atom 1293 (156398 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 31, first atom 1293 (110433 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 33, first atom 1293 (146261 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 34, first atom 1293 (126791 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 37, first atom 1293 (103219 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 40, first atom 1293 (127487 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 46, first atom 1293 (100787 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 362 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41215 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 334 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40192 ms
+Warn: 44 atom(s) hit accel clamp on step 0, first atom 1045 (117181 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 1, first atom 1087 (160960 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 2, first atom 1305 (105067 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1327 (186366 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1318 (121908 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1064 (124220 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1327 (127264 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 7, first atom 1240 (121449 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1302 (159814 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1327 (120346 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1506 (111866 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 17, first atom 1744 (130633 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 19, first atom 1738 (124872 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 336 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39662 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 337 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41619 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 337 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39457 ms
+Warn: 45 atom(s) hit accel clamp on step 0, first atom 1064 (190451 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 1, first atom 1087 (244859 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 2, first atom 1293 (307991 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 3, first atom 1087 (120216 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 4, first atom 1318 (128044 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1318 (368571 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 6, first atom 1087 (104484 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 7, first atom 1087 (105993 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1319 (181896 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 9, first atom 1087 (163910 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 10, first atom 1087 (123711 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 12, first atom 1293 (131340 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 13, first atom 1087 (106078 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1293 (111560 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 330 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41939 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 377 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40933 ms
+Warn: 35 atom(s) hit accel clamp on step 0, first atom 991 (239407 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 1, first atom 1064 (102254 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 2, first atom 1064 (107344 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 3, first atom 1318 (139789 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 4, first atom 1303 (148833 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 5, first atom 1133 (129385 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1382 (158776 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 7, first atom 1087 (103533 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 8, first atom 1318 (172424 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 9, first atom 1087 (123538 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 10, first atom 1327 (134128 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 13, first atom 1087 (143582 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 15, first atom 1064 (101513 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 17, first atom 1064 (112121 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 18, first atom 1744 (100995 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 337 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42174 ms
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1087 (110191 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 39, first atom 1201 (100226 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 347 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41051 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 336 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40143 ms
+Warn: 34 atom(s) hit accel clamp on step 0, first atom 1024 (101089 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1072 (138431 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1318 (131435 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 3, first atom 1327 (180264 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 4, first atom 1318 (221194 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 5, first atom 1133 (195952 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1087 (112539 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1738 (104898 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 10, first atom 1318 (126924 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 12, first atom 1327 (100820 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 355 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41861 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 332 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39642 ms
+Warn: 42 atom(s) hit accel clamp on step 0, first atom 991 (155203 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 1, first atom 1087 (198617 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1293 (131321 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 3, first atom 1064 (107399 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1637 (104736 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 5, first atom 1506 (101805 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 6, first atom 1146 (103388 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 8, first atom 1293 (113857 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 9, first atom 1318 (112954 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 10, first atom 1293 (175521 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 11, first atom 1064 (102153 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 343 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41425 ms
+Warn: 2 atom(s) hit accel clamp on step 38, first atom 1087 (101238 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 380 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39726 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.47 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5981 solvent mols in 389 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42236 ms
+Warn: 291 atom(s) hit accel clamp on step 5, first atom 88 (262722 -> 100000)
+Warn: 98 atom(s) hit accel clamp on step 6, first atom 614 (248641 -> 100000)
+Warn: 76 atom(s) hit accel clamp on step 7, first atom 613 (102290 -> 100000)
+Warn: 70 atom(s) hit accel clamp on step 8, first atom 110 (100136 -> 100000)
+Warn: 66 atom(s) hit accel clamp on step 9, first atom 629 (201725 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 10, first atom 352 (133097 -> 100000)
+Warn: 56 atom(s) hit accel clamp on step 11, first atom 1097 (106085 -> 100000)
+Warn: 53 atom(s) hit accel clamp on step 12, first atom 871 (183149 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 13, first atom 964 (307353 -> 100000)
+Warn: 48 atom(s) hit accel clamp on step 14, first atom 348 (110382 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 15, first atom 807 (154280 -> 100000)
+Warn: 37 atom(s) hit accel clamp on step 16, first atom 889 (126760 -> 100000)
+Warn: 39 atom(s) hit accel clamp on step 17, first atom 482 (167866 -> 100000)
+Warn: 36 atom(s) hit accel clamp on step 18, first atom 1073 (104273 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 19, first atom 1117 (171360 -> 100000)
+Warn: 41 atom(s) hit accel clamp on step 20, first atom 1065 (181583 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 21, first atom 876 (114284 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 22, first atom 467 (283584 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 23, first atom 1074 (173830 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 24, first atom 889 (143349 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 25, first atom 1307 (120462 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 26, first atom 1106 (103233 -> 100000)
+Warn: 17 atom(s) hit accel clamp on step 27, first atom 877 (126091 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 28, first atom 1229 (119046 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 29, first atom 1091 (151462 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 30, first atom 1091 (111670 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 31, first atom 1080 (107219 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 32, first atom 1075 (186930 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 33, first atom 1071 (178059 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 34, first atom 1071 (114217 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 35, first atom 1071 (137618 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 36, first atom 1474 (159827 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 37, first atom 1311 (105777 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 38, first atom 1090 (110946 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 39, first atom 1466 (139670 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 40, first atom 1227 (102420 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 41, first atom 1382 (102706 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 42, first atom 1400 (121522 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 43, first atom 1363 (127056 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 44, first atom 1074 (124423 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 45, first atom 1475 (265284 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 46, first atom 1480 (1216277 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 47, first atom 1455 (105872 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 48, first atom 1544 (119027 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 49, first atom 1539 (104213 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 50, first atom 1453 (118090 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 51, first atom 1309 (121223 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 52, first atom 1309 (103296 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 53, first atom 1450 (122186 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 54, first atom 1743 (928066 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 55, first atom 1481 (452593 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 56, first atom 1450 (146885 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 57, first atom 1540 (138464 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 58, first atom 1475 (108892 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 59, first atom 1326 (106096 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 60, first atom 1737 (117619 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 61, first atom 1737 (102470 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1475 (218018 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 63, first atom 1306 (154567 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 64, first atom 1737 (548836 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 65, first atom 1737 (316146 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1699 (105201 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 67, first atom 1310 (103484 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 68, first atom 1534 (102134 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 69, first atom 1307 (122270 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 71, first atom 1474 (110895 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 72, first atom 1743 (129823 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 73, first atom 1743 (123963 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1743 (131118 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 76, first atom 1743 (180743 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 78, first atom 1737 (294143 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 80, first atom 1743 (206799 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1743 (118917 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 88, first atom 1743 (142513 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 92, first atom 1737 (140250 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 96, first atom 1746 (166953 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 98, first atom 1743 (123902 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 99, first atom 1743 (120329 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 100, first atom 1743 (163379 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 102, first atom 1744 (109989 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 104, first atom 1737 (232388 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.42 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5754 / 5880 solvent mols in 368 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40725 ms
+Warn: 30 atom(s) hit accel clamp on step 0, first atom 1045 (115842 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 1, first atom 1202 (106910 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1490 (154399 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1072 (154890 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 5, first atom 1153 (112935 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1355 (126077 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 8, first atom 1490 (107857 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 12, first atom 1153 (112577 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.60 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5793 / 5986 solvent mols in 350 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41745 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.60 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5793 / 5986 solvent mols in 349 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39758 ms
+Warn: 1 atom(s) hit accel clamp on step 0, first atom 1632 (245274 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1632 (110669 -> 100000)
+Warn: 283 atom(s) hit accel clamp on step 8, first atom 79 (190496 -> 100000)
+Warn: 114 atom(s) hit accel clamp on step 9, first atom 333 (134778 -> 100000)
+Warn: 77 atom(s) hit accel clamp on step 10, first atom 110 (274454 -> 100000)
+Warn: 69 atom(s) hit accel clamp on step 11, first atom 110 (160674 -> 100000)
+Warn: 72 atom(s) hit accel clamp on step 12, first atom 535 (120985 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 13, first atom 345 (149255 -> 100000)
+Warn: 54 atom(s) hit accel clamp on step 14, first atom 610 (116681 -> 100000)
+Warn: 62 atom(s) hit accel clamp on step 15, first atom 875 (181442 -> 100000)
+Warn: 52 atom(s) hit accel clamp on step 16, first atom 964 (150335 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 17, first atom 1079 (142128 -> 100000)
+Warn: 46 atom(s) hit accel clamp on step 18, first atom 1079 (527350 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 19, first atom 991 (142108 -> 100000)
+Warn: 43 atom(s) hit accel clamp on step 20, first atom 626 (100660 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 21, first atom 1078 (107331 -> 100000)
+Warn: 32 atom(s) hit accel clamp on step 22, first atom 964 (101279 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 23, first atom 352 (123576 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 24, first atom 1111 (125481 -> 100000)
+Warn: 40 atom(s) hit accel clamp on step 25, first atom 1080 (362296 -> 100000)
+Warn: 28 atom(s) hit accel clamp on step 26, first atom 1191 (339380 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 27, first atom 1080 (122426 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 28, first atom 882 (120209 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 29, first atom 1084 (193438 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 30, first atom 882 (107072 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 31, first atom 1084 (106182 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 32, first atom 1085 (119841 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 33, first atom 1121 (196092 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 34, first atom 871 (126833 -> 100000)
+Warn: 24 atom(s) hit accel clamp on step 35, first atom 965 (110605 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 36, first atom 1078 (2102810 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 37, first atom 1078 (250501 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 38, first atom 624 (109233 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 39, first atom 1078 (266821 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 40, first atom 1160 (145407 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 41, first atom 341 (128768 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 42, first atom 1297 (453551 -> 100000)
+Warn: 25 atom(s) hit accel clamp on step 43, first atom 341 (273569 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 44, first atom 1121 (212183 -> 100000)
+Warn: 18 atom(s) hit accel clamp on step 45, first atom 1078 (232044 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 46, first atom 1134 (152139 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 47, first atom 1128 (105720 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 48, first atom 1078 (113219 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 49, first atom 1078 (103198 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 50, first atom 1085 (113937 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 51, first atom 1472 (578964 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 52, first atom 1362 (103308 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 53, first atom 966 (119603 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 54, first atom 1309 (101219 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 55, first atom 1078 (112668 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 56, first atom 1539 (109482 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 57, first atom 1306 (118520 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 58, first atom 1085 (113590 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 59, first atom 1485 (116057 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 60, first atom 1473 (102818 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 61, first atom 1308 (148665 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1310 (160921 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 63, first atom 1305 (292764 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 64, first atom 1304 (117864 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 65, first atom 1312 (106897 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 66, first atom 1538 (103633 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 67, first atom 1543 (143356 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1750 (257513 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 69, first atom 1750 (105226 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 70, first atom 1731 (473055 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1748 (143455 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1721 (109753 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 75, first atom 1750 (131214 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1539 (154147 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 79, first atom 1721 (104528 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 80, first atom 1749 (161492 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 81, first atom 1304 (102705 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 88, first atom 1740 (109333 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1740 (123724 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1740 (100642 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1484 (102815 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 99, first atom 1309 (141612 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 104, first atom 1748 (101788 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 108, first atom 1809 (102082 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 111, first atom 1304 (129695 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 113, first atom 1304 (145527 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 115, first atom 1304 (138525 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 116, first atom 1304 (105662 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 118, first atom 1304 (107335 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 176.40 Cell vol: 199.99 (ų / 1,000). Dims: 57.091316:.2 x 55.34 x 63.30 Å
+Added 5752 / 5879 solvent mols in 326 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39545 ms
+Warn: 32 atom(s) hit accel clamp on step 0, first atom 996 (202353 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 1, first atom 1717 (108056 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1206 (144811 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 5, first atom 1494 (107661 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 11, first atom 1494 (117762 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.59 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5985 solvent mols in 370 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 39465 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.59 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5985 solvent mols in 331 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 41944 ms
+Warn: 34 atom(s) hit accel clamp on step 0, first atom 996 (181844 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 1, first atom 1092 (290625 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 2, first atom 1301 (103995 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 4, first atom 1077 (161853 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 5, first atom 1077 (102815 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 6, first atom 1069 (100498 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 8, first atom 1069 (131881 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 10, first atom 1069 (134685 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 14, first atom 1323 (105521 -> 100000)
+Initializing solvent molecules...
+Solvent-free vol: 179.59 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5985 solvent mols in 359 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 42158 ms
+Initializing solvent molecules...
+Solvent-free vol: 179.59 Cell vol: 203.21 (ų / 1,000). Dims: 57.592705:.2 x 55.74 x 63.30 Å
+Added 5790 / 5985 solvent mols in 332 ms. Used 74088 loops
+Initializing solvent structure prior to production MD...
+Solvent initialization MD complete in 40944 ms
+Warn: 295 atom(s) hit accel clamp on step 13, first atom 79 (136071 -> 100000)
+Warn: 113 atom(s) hit accel clamp on step 14, first atom 333 (131526 -> 100000)
+Warn: 80 atom(s) hit accel clamp on step 15, first atom 110 (196286 -> 100000)
+Warn: 68 atom(s) hit accel clamp on step 16, first atom 124 (112834 -> 100000)
+Warn: 67 atom(s) hit accel clamp on step 17, first atom 553 (111453 -> 100000)
+Warn: 65 atom(s) hit accel clamp on step 18, first atom 352 (366376 -> 100000)
+Warn: 61 atom(s) hit accel clamp on step 19, first atom 126 (128587 -> 100000)
+Warn: 57 atom(s) hit accel clamp on step 20, first atom 140 (102895 -> 100000)
+Warn: 51 atom(s) hit accel clamp on step 21, first atom 535 (255078 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 22, first atom 1008 (170147 -> 100000)
+Warn: 33 atom(s) hit accel clamp on step 23, first atom 126 (104202 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 24, first atom 1081 (100391 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 25, first atom 1081 (100180 -> 100000)
+Warn: 30 atom(s) hit accel clamp on step 26, first atom 537 (352683 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 27, first atom 1081 (116682 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 28, first atom 499 (182429 -> 100000)
+Warn: 34 atom(s) hit accel clamp on step 29, first atom 1129 (197034 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 30, first atom 1116 (111784 -> 100000)
+Warn: 27 atom(s) hit accel clamp on step 31, first atom 1081 (200275 -> 100000)
+Warn: 38 atom(s) hit accel clamp on step 32, first atom 1101 (177832 -> 100000)
+Warn: 31 atom(s) hit accel clamp on step 33, first atom 1117 (131061 -> 100000)
+Warn: 23 atom(s) hit accel clamp on step 34, first atom 1087 (166992 -> 100000)
+Warn: 29 atom(s) hit accel clamp on step 35, first atom 1117 (189914 -> 100000)
+Warn: 35 atom(s) hit accel clamp on step 36, first atom 1081 (103389 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 37, first atom 1105 (182103 -> 100000)
+Warn: 26 atom(s) hit accel clamp on step 38, first atom 1163 (111369 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 39, first atom 1073 (112628 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 40, first atom 1112 (120499 -> 100000)
+Warn: 22 atom(s) hit accel clamp on step 41, first atom 1089 (124817 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 42, first atom 1081 (103251 -> 100000)
+Warn: 21 atom(s) hit accel clamp on step 43, first atom 1096 (101014 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 44, first atom 1117 (108437 -> 100000)
+Warn: 19 atom(s) hit accel clamp on step 45, first atom 1306 (129899 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 46, first atom 888 (141180 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 47, first atom 876 (166149 -> 100000)
+Warn: 20 atom(s) hit accel clamp on step 48, first atom 1117 (105757 -> 100000)
+Warn: 9 atom(s) hit accel clamp on step 49, first atom 1302 (102852 -> 100000)
+Warn: 15 atom(s) hit accel clamp on step 50, first atom 1128 (177531 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 51, first atom 1110 (249843 -> 100000)
+Warn: 12 atom(s) hit accel clamp on step 52, first atom 1074 (162393 -> 100000)
+Warn: 13 atom(s) hit accel clamp on step 53, first atom 880 (166714 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 54, first atom 1304 (283491 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 55, first atom 1190 (118168 -> 100000)
+Warn: 7 atom(s) hit accel clamp on step 56, first atom 1190 (125929 -> 100000)
+Warn: 5 atom(s) hit accel clamp on step 57, first atom 1121 (104675 -> 100000)
+Warn: 14 atom(s) hit accel clamp on step 58, first atom 942 (101023 -> 100000)
+Warn: 10 atom(s) hit accel clamp on step 59, first atom 1303 (125596 -> 100000)
+Warn: 16 atom(s) hit accel clamp on step 60, first atom 1098 (107359 -> 100000)
+Warn: 11 atom(s) hit accel clamp on step 61, first atom 1453 (103941 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 62, first atom 1540 (368310 -> 100000)
+Warn: 8 atom(s) hit accel clamp on step 63, first atom 1453 (147536 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 64, first atom 1791 (103864 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 65, first atom 1124 (157886 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 66, first atom 1440 (122722 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 67, first atom 1440 (109035 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 68, first atom 1306 (134722 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 69, first atom 876 (130810 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 70, first atom 1746 (218111 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 71, first atom 1483 (120995 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 72, first atom 1705 (128067 -> 100000)
+Warn: 6 atom(s) hit accel clamp on step 73, first atom 1306 (114814 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 74, first atom 1488 (116913 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 75, first atom 1306 (108161 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 77, first atom 1306 (177842 -> 100000)
+Warn: 4 atom(s) hit accel clamp on step 78, first atom 1315 (103594 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 79, first atom 1476 (149652 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 80, first atom 1750 (106500 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 81, first atom 1483 (105398 -> 100000)
+Warn: 3 atom(s) hit accel clamp on step 82, first atom 1482 (280206 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 83, first atom 1676 (104190 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 85, first atom 1676 (170790 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 86, first atom 1742 (113997 -> 100000)
+Warn: 2 atom(s) hit accel clamp on step 87, first atom 1553 (103333 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 89, first atom 1752 (146227 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 90, first atom 1753 (101317 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 91, first atom 1744 (276379 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 93, first atom 1742 (101230 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 94, first atom 1752 (131989 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 95, first atom 1743 (115359 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 106, first atom 1745 (220231 -> 100000)
+Warn: 1 atom(s) hit accel clamp on step 107, first atom 1745 (167888 -> 100000)
+=== [n45000] 1jvt RL done  Thu Aug 20 07:03:40 CST 2026 ===
+[45k] 完成 -> coverage: /public/home/redelectricity/spice/model/../data/data_efficiency/n45000/runs/posttrain/coverage.csv
+看存活：grep 存活突变体 slurm_logs/45k_*.out ；伪标签在 /public/home/redelectricity/spice/model/../data/data_efficiency/n45000/pseudo_labels/
diff --git a/seventh_mut/n45000/checkpoints/.DS_Store b/seventh_mut/n45000/checkpoints/.DS_Store
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new file mode 100644
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--- /dev/null
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diff --git a/seventh_mut/n45000/checkpoints/posttrain/.DS_Store b/seventh_mut/n45000/checkpoints/posttrain/.DS_Store
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new file mode 100644
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--- /dev/null
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new file mode 100644
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diff --git a/seventh_mut/n45000/checkpoints/posttrain/sac_ep0039_log_alpha.npy b/seventh_mut/n45000/checkpoints/posttrain/sac_ep0039_log_alpha.npy
new file mode 100644
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--- /dev/null
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diff --git a/seventh_mut/n45000/posttrain.yaml b/seventh_mut/n45000/posttrain.yaml
new file mode 100644
index 0000000000000000000000000000000000000000..5eceb6923397064905e0dad9779450abfda66b08
--- /dev/null
+++ b/seventh_mut/n45000/posttrain.yaml
@@ -0,0 +1,108 @@
+env:
+  env_abs_window: true
+  env_dT_clamp: 20.0
+  env_dph_clamp: 2.0
+  env_offset_clamp: true
+  env_offset_dim: 2
+  env_ph_max: 10.0
+  env_ph_min: 2.0
+  env_temp_max: 330.0
+  env_temp_min: 260.0
+  episode_max_steps: 20
+  force_clamp: 0.5
+  force_dim: 16
+  ionic_default: 0.0
+  metric_dim: 5
+  mutation_every: 20
+  ph_max: 14.0
+  ph_min: 0.0
+  ph_rebuild_threshold: 0.05
+  pressure: 1.0
+  relax_iters: 50
+  reward_ref: 100000
+  strict_incomplete: true
+  temp_max: 400.0
+  temp_min: 150.0
+  tolerance: 2.0
+  u_window: 10
+es:
+  conservation_external: ''
+  conservation_mask: true
+  conservation_threshold: 0.8
+  crossover_rate: 0.5
+  elites: 4
+  fitness_survive_steps: 20
+  freeze_backbone: true
+  generations: 50
+  head_b_noise: 0.05
+  head_c_noise: 0.05
+  mutation_rate: 0.1
+  n_mutations_per_candidate:
+  - 1
+  - 3
+  population: 8
+  q_gate: 0.5
+post:
+  anchor_ph: 7.0
+  anchor_temp: 298.0
+  ckpt_dir: ../data/data_efficiency/n45000/checkpoints/posttrain
+  ckpt_every: 10
+  conf_batch: 16
+  conf_lr: 0.0001
+  conf_train_interval: 10
+  env_delta_T: 5.0
+  env_delta_ph: 5
+  escape_after: 3
+  escape_step_threshold: 5
+  finetune_batch_size: 16
+  finetune_epochs: 1
+  finetune_lr: 0.0001
+  finetune_out: checkpoints/pretrain/finetuned.weights.h5
+  log_dir: ../data/data_efficiency/n45000/runs/posttrain
+  log_every: 10
+  max_episodes: 40
+  max_seq_len: 150
+  min_seq_len: 70
+  nan_watchdog: true
+  no_survivor_abort: 15
+  path_a_threads: 2
+  phase_map_dir: ../data/data_efficiency/n45000/phase_maps
+  phase_map_interval: 0
+  phase_map_ph_range:
+  - 2.0
+  - 11.0
+  - 1.0
+  phase_map_temp_range:
+  - 250.0
+  - 350.0
+  - 10.0
+  pretrain_ckpt: checkpoints/pretrain/best_weights.weights.h5
+  pretrain_config: configs/pretrain.yaml
+  pretrain_tfrecord_dir: data/tfrecords
+  pseudo_label_dir: ../data/data_efficiency/n45000/pseudo_labels
+  pseudo_tfrecord_path: ../data/data_efficiency/n45000/pseudo.tfrecord
+  pseudo_weight_repeat: 8
+  quick_check_steps: 20
+  recovery_delta_T: 5.0
+  recovery_delta_ph: 1.0
+  recovery_episodes: 4
+sac:
+  aa_dim: 20
+  batch_size: 32
+  buffer_capacity: 300000
+  discrete_position_dim: 256
+  eager_update: false
+  enable_mutation_head: true
+  gamma: 0.99
+  gumbel_tau: 1.0
+  hidden_dim: 256
+  lr_actor: 0.0003
+  lr_alpha: 0.0003
+  lr_critic: 0.0003
+  mutation_every: 20
+  target_entropy_factor: 0.5
+  tau: 0.005
+  trace_layers: false
+  track_mutation_mask: true
+  u_ref: 100000
+  update_every_steps: 20
diff --git a/seventh_mut/n45000/pretrain.yaml b/seventh_mut/n45000/pretrain.yaml
new file mode 100644
index 0000000000000000000000000000000000000000..e752fd54ff7333c5ff8d567a87f8ddaf42655c64
--- /dev/null
+++ b/seventh_mut/n45000/pretrain.yaml
@@ -0,0 +1,60 @@
+data:
+  cache_dir: data/cache
+  hf_endpoint: https://hf-mirror.com
+  hf_repo: SPICE-Protein/spice_protein
+  local_dir: data/parquet
+  max_chains: 45000
+  max_seq_len: 512
+  max_shards: 0
+  min_seq_len: 40
+  source: hf
+  structures_per_shard: 0
+  tfrecord_dir: runs/ablation/data_efficiency/n45000/tfrecords
+  use_env_filtered: false
+model:
+  vocab_size: 23
+  embed_dim: 256
+  num_layers: 6
+  num_heads: 8
+  ffn_dim: 1024
+  dropout: 0.1
+  env_dim: 3
+  pos_max_len: 1024
+  dist_bins: 48
+  dist_dim: 32
+  dist_min: 3.0
+  dist_max: 48.0
+  distogram_fp16: true
+  frame_recycle_steps: 2
+  frame_refine_dim: 64
+  frame_refine_heads: 4
+train:
+  batch_size: 96
+  epochs: 30
+  lr: 1.0e-3
+  weight_decay: 1.0e-4
+  warmup_steps: 1000
+  grad_clip: 1.0
+  val_split: 0.05
+  seed: 42
+  log_dir: runs/ablation/data_efficiency/n45000/runs
+  ckpt_dir: runs/ablation/data_efficiency/n45000/checkpoints
+  log_every: 50
+  ckpt_every: 1000
+  max_steps: 0
+  cache_train: true
+  cache_path: data/train_cache
+  dist_weight: 1.0
+  pair_weight: 1.0
+  pair_warmup_steps: 3000
+  frame_chirality_weight: 1.0
+  frame_clash_weight: 3.0
+  frame_consistency_weight: 0.5
+  coord_max_len: 200
+  plateau_patience: 5
+  plateau_min_delta: 0.005
+  plateau_auto_stop: false
+  use_gpu: true
+  gpu_mem_growth: true
+  gpu_devices: ''
+  use_mixed_precision: false
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