Dear all, I want to test a MD simulation job for the naphthalene molecule by the oplsaa force field by. The x2top generated less number of dihedral angles than what I expected. Do you know how many dihedral angles should be included for the naphthalene molecule if I use oplsaa?
Thanks a lot. Ming -- 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
