[gmx-users] option for finding forces between two groups
omermar at gmail.com
Sun Oct 4 10:00:47 CEST 2009
Work with groups and an index file, and define energy_groups in the mdp file
For indices, check make_ndx utility.
Koby Levy research group,
Weizmann Institute of Science.
On Fri, Oct 2, 2009 at 20:31, Pradip Biswas <biswas.pk at gmail.com> wrote:
> Anyone can please tell me whether there is any option in GROMACS to find
> forces between two groups (say for example, between two residues in a
> protein or between a peptide and a residue in a Protein for Protein-peptide
> interaction) or one need to workaround with the code to get that?
> Thanks in advance.
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