[gmx-users] option for finding forces between two groups

Mark Abraham Mark.Abraham at anu.edu.au
Mon Oct 5 13:31:28 CEST 2009

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.


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