[gmx-users] Re: Problem with pressure coupling
ondrej.marsalek at gmail.com
Thu Oct 7 12:28:15 CEST 2010
On Wed, Sep 29, 2010 at 21:56, David van der Spoel <spoel at 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?
More information about the gromacs.org_gmx-users