Hi all,
I was using md-vv as an integrator however I discovered that all bulk was moving (drifting) during the simulation. Than I changed the integrator and used md. The bulk molecules did not move during the simulation, just stayed in the middle of box. I attached the potential and kinetic energies of the systems with md-vv and md integrator. http://imgur.com/6aJkRoQ&fjXGmXu#0 When I use md-vv other than drifting, I also saw big jump in potential energy after 10ns. However this is not the case for md integrator system. Is this normal? Does anyone face with the same problem? What could be the reason for that? thanks in advance. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
