Hello, Does gromacs write the current values (at some requested step) to ENER.EDR or the averaged ones (at the requested interval)?
-- Dr. Vitaly Chaban Associate Researcher Department of Chemistry University of Roshester, Rochester, NY 14642 -- 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
