GROMACS version: 2022.2
GROMACS modification: Yes/No
Dear Justin
I attempted to calculate the interaction energy between two components by setting up energygrps = POPE POPC at the end of the .mdp file. Does energygrp-excl= POPE POPE POPC POPC need to be added at the end of mdp file?
I considered Protein-Ligand tutorial to calculate the interaction energy.
Best regards,
Ganj