From: Erik Marklund <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org>
To: Discussion list for GROMACS users <gmx-users@gromacs.org>
Subject: Re: [gmx-users] Measuring dihedral energy of various selections
Date: Fri, 18 Aug 2006 14:05:18 +0200
Just from the top of my head, couldn't you just make a new mdp- and a
tpr-file with different energy groups and then use mdrun -rerun on the
old trajectory?
No, energy groups only work for non-bonded interactions.
You could remove or comment out all the dihedrals in the topology
that you do not want and then do mdrun -rerun
Berk.
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