> Hi, > > I want to test different values of cutoff for vdw. However, in the list > someone said cutoff = 0.9 for vdw was used for paramaterizing of >Gromos > force field, other values would cause error, and also there was someone > saying that cutoff for vdw should be set to 1.4. Can >someone make this > question clear? Thanks a lot.
The common rule for all FFs is to set the LJ-cutoff around 2.5*sigma(LJ12-6). In fact, you'll get about 0.9 nm for the most objects. I see nothing terrible if you use, say, 1.4 nm just because the difference will be negligible. Just test it. :) -- Dr. Vitaly Chaban -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
