GROMACS version: 2019
GROMACS modification: No
Dear GROMACS users,
In my system I have several proteins (similar), which have the same resid number (every similar residue on each protein have the same resid number). I would like to use the RDF analysis tool and calculate the RDF of the center of mass of the proteins.
In the analysis command I set the -sel and -ref flags to the resids of the proteins (which is the same for all proteins) and -selrpos and -seltype to “whole_mol_com”. I was wondering whether this is correct.
Thank you very much for your help.