> I guess that what you want to do is exactly what the decouple mdp options do. > You probably don't need modify any topology files. > If couple-intramol=no (default) than all intra-molecular interactions are not > turned > off and are plain LJ/Coulomb without cut-off.
Ah, this was implemented, then. Good to know! Best, Michael ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Michael Shirts Assistant Professor Department of Chemical Engineering University of Virginia [email protected] (434)-243-1821 _______________________________________________ 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
