Dear All, I have a protein composed of chain A and chain B. I want to determine the interaction energy between chain A and chain B. Is it the following energygrp_excl correct or not?
energygrp_excl=chain A chain A chain B chain B SOL SOL chain A SOL chain B SOL Or is it tool long? I see from the on-line tutorial the energygrp_excl only contains 4 parameters, for example energygrp_excl=Protein Protein SOL SOL In addition, for the energy calculated by g-energy, does it contain the hydrogen bond energy and the salt bridge energy, or does gromacs regard hydrogen bond energy and the salt bridge energy as bonded energy or non-bonded energy? I am looking forward to getting your reply. Cheers, Acoot -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
