Hi, If I use energy group exclusions, won't I exclude also the intramolecular potential energy? I just want to exclude the intramolecular electrostatics.
thanks Antonia >Mark Abraham <[email protected]> said: > Antonia Vyrkou wrote: > > Hello, > > > > I am trying to simulate a system for which I need to exclude all > > intramolecular culombic interactions except those included in the > > pair_list. > > How can I do that? > > Perhaps by use of energy group exclusions - see the manual. > > > Also, the pairs defined at the [ pairs ] section are used for both > > Lennard-Jones and coulombic interaction, are they not? > > I think so. > > Mark > _______________________________________________ > gmx-users mailing list [email protected] > http://www.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 > -- _______________________________________________ gmx-users mailing list [email protected] http://www.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
