[gmx-users] option for finding forces between two groups
Mark.Abraham at anu.edu.au
Mon Oct 5 13:31:28 CEST 2009
Pradip Biswas 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?
Probably you should do a rerun with energy group exclusions used
properly. See section 7.3 of the manual.
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