On Tue, Jan 6, 2009 at 2:29 PM, Florian Dommert <[email protected]> wrote: > Finally it would be very interested in a possiblity to switch off the > vdw interactions easily. So far I used an appropiate topology files with C6 > and > C12 set to zero. Is there an easier solution as using a table filled > with zeros ?
What about using the energygrp_excl parameter in the mdp file? It will turn off ALL non-bonded interactions though. Regards, Suman Chakrabarty. _______________________________________________ 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
