Could you file an issue on redmine with sample input files you use? It may be some particular combination of md-vv and some other options that is causing the problem, and it is very hard to debug anything without a precise copy of the inputs that cause the problem.
On Thu, Jul 21, 2016 at 9:28 AM, gozde ergin <gozdeeer...@gmail.com> wrote: > Dear all, > > I am using md-vv integrator in 5.1 and still get this all bulk moving problem. > Before I was using 4.6 and informed that this dribble is fixed 5.1 however I > still got the same problem. > My bulk is moving in z direction however if I use md integrator I do not face > with this problem. > Any idea? >> On 18 Jul 2015, at 04:13, Michael Shirts <mrshi...@gmail.com> wrote: >> >>> Has problem been solved about molecules drifting in md-vv integrator? >> >> We think so, but some additional tests are running to address any >> other lingering integrator issues. The fix is in 5.1 beta, but not in >> the 4.6 branch yet (it's a pull request, but not yet merged). >> >>> Also can you please check my potential energy second pic in >>> http://imgur.com/6aJkRoQ&fjXGmXu#0 >>> . <http://imgur.com/6aJkRoQ&fjXGmXu#0> >>> What could be the reason this big jump in potential energy (integrator : >>> md-vv)? >>> And why I do not see the same jump by using md integrator? >> >> I don't think there's sufficient information here to answer that question. >> -- >> 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. > > -- > 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. -- 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.