Pradip Biswas wrote:
Hi,
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.
Mark
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