Dear All, Is there any way of obtaining the total energy of a protein from GROMACS (including bond stretch, angle bend, dihedral, Coulomb, LJ, Coulomb-14 and LJ-14) other than using gmx mdrun rerun? Regards, Saumyak -- Gromacs Users mailing list
* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
