Work with groups and an index file, and define energy_groups in the mdp file also. For indices, check make_ndx utility. Omer.
Koby Levy research group, Weizmann Institute of Science. FAX: 972-77-444-7905 http://www.weizmann.ac.il/sb/faculty_pages/Levy/ On Fri, Oct 2, 2009 at 20:31, Pradip Biswas <biswas...@gmail.com> wrote: > Hi, > Anyone can please tell me whether there is any option in GROMACS to find > forces between two groups (say for example, between two residues in a > protein or between a peptide and a residue in a Protein for Protein-peptide > interaction) or one need to workaround with the code to get that? > > Thanks in advance. > Biswas. > > > _______________________________________________ > 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 >
_______________________________________________ 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
