Dear Users: I am in the process of setting up a new system. I have a 8.0*8.0*8.0 nm3 system which include 27800 molecules. When the system approach equilibrium, I found the potential energy is +3e5 (big positive number). Is this normal? Since based on my experience, for systems in such size, the potential energy is usually a big negative number? Does this mean that my force field parameter or molecule structure have problems? Thanks in advance!
-- Yanmei Song Ph.D. Candidate Department of Chemical Engineering Arizona State University
-- 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
