! 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