[gmx-users] Re: Problem with pressure coupling

[Berk Hess]

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.marsalek at gmail.com
> To: gmx-users at gromacs.org
> 
> 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?
> 
> Regards,
> Ondrej
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