Please email just gmx-users, not the owner or request addresses :-) On Sun, Jun 2, 2013 at 9:37 PM, fatemeh ramezani <fr_...@yahoo.com> wrote:
> > > Hi all > > I want to simulate protein-fatty acid-AU complexs by OPLSAA force field. > But OPLSAA force field, hasn't any parameter for fatty acid. Can I use > CHARMM fatty acid parameters in OPLSAA force field? No. See http://www.gromacs.org/Documentation/How-tos/Parametrization > Anyone has better suggestion? > Read widely on similar efforts. Be prepared for a lengthy parameterization process if nobody has done this kind of system before. Mark -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
