Dear all, I am trying to minimize the energy of a polymer system I have. I have successfully modified the n2t file to include force fields for atoms that were not present. However now I am using "grompp" before using mdrun (to minimize). However I have a question should the .ITP and .RTP files be modified accordingly and if yes how is this possible? Any information of how to modify them?
Elie -- 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