Dear Mark, The problem is a little bit more complicated. I want to build topologies for dozens of non-peptide inhibitor prototypes using OPLS FF. Thus, if there is a way to build this by an automatic procedure it would save much time.
Thanks anyway, Bruno. _______________________________________________ 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
