File size: 850 Bytes
5631464 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 | ! setflags.cns
! Defines energy flags
!
! ***********************************************************************
! * Copyright 2003-2022 Alexandre Bonvin, Utrecht University. *
! * All rights reserved. *
! * This code is part of the HADDOCK software and governed by its *
! * license. Please see the LICENSE file that should have been included *
! * as part of this package. *
! ***********************************************************************
!
if ($Data.cdih.on eq true) then
evaluate ($Data.flags.cdih = true)
end if
if ($Data.flags.noe = TRUE) then
flags include noe end
end if
if ($Data.flags.cdih = TRUE) then
flags include cdih end
end if
if ($Data.flags.ncs = TRUE) then
flags include ncs end
end if
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