[gmx-users] Are water molecules restrained "by default"?
addiw7 at googlemail.com
Tue Jul 28 16:16:24 CEST 2015
2015-07-28 15:02 GMT+01:00 Justin Lemkul <jalemkul at vt.edu>:
> Those are reference positions for restraints. The restraints won't be
> applied to anything that's not actually specified in [position_restraints].
Right, so that means that if I read all atoms in *trp file as I send you in
my previous message but only heavy atoms indexes are present in posre.itp
file, it's all fine? Only those heavy ones are restrained?
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