Dear all, I have a ligand molecule, and I want to get its opls all-atom force field topology file. How can I get it? I don't know how to establish the atom types and the charge of the ligand. Any reply will be appreciated.
sincerely Rui Li _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
