Hi, Is there a way to output only intramolecular interaction (LJ and Coulomb but not bond, angle, etc) energies (with a respect of exclusions, of course). It seems LJ-(SR) and Coulomb-(SR) terms in g_energy include all interaction, both inter- and intramolecular ones.
Thanks, Vitaly -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
