Hi all, I'm using ffamber99p ff in gromacs and now I have to use some additional parameters in the force field. Regarding to designation of proper dihedrals in AMBER, in some cases there are 2 or 3 dihedrals given for a specific torsion, in which parameters(e.g. angles) differ from each otherĀ and there also has been defined periodicities of -1,-2 etc. the question is how to implement such dihedrals in GROMACS, thanks very much for any instruction.
bests, Amin
-- 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