[gmx-users] Are water molecules restrained "by default"?

Dawid das 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?

More information about the gromacs.org_gmx-users mailing list