Hi, This is regarding the energygroups that one can use in the mdp file for tracking energy. Are these the groups defined in the index file?
I want to know if I can define a subset of atoms in the index file and track its energy. Pooja -- Quaerendo Invenietis-Seek and you shall discover.
-- 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