Hi, It's bugzilla 579: http://bugzilla.gromacs.org/show_bug.cgi?id=579 Actually the title is wrong, the pressure was correct, the pressure scaling, and thus the density, not.
Berk > Date: Thu, 7 Oct 2010 12:28:15 +0200 > Subject: Re: [gmx-users] Re: Problem with pressure coupling > From: ondrej.marsa...@gmail.com > To: gmx-users@gromacs.org > > On Wed, Sep 29, 2010 at 21:56, David van der Spoel <sp...@xray.bmc.uu.se> > wrote: > > > > After setting nstcalcenergy = 1 I get > > Density 996.894 1.2 3.85083 1.86718 (kg/m^3) > > > > In other words the bug can be circumvented by setting this variable to 1. I > > will file a bugzilla. > > > > Is this bug in now? I can't find it in recent bugs, but perhaps I've > missed it. If it is not in, should I file it? > > Regards, > Ondrej > -- > 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/Support/Mailing_Lists/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/Support/Mailing_Lists
-- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
