> Hi, > > I don't see why it doesn't all work, can you not just use the > ffoplsaanb.itp file to map the opls_xxx names to the ones used in > ffoplsbon.itp?
Yeah, that's what I thought, but the second field in the nb.itp is "bond-type" and doesn't correspond like you'd think they might. Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
