[gmx-users] Re: Problem with pressure coupling

[Ondrej Marsalek]

Hi,

thanks for fixing this, Berk. Silly me, I did not include RESOLVED
bugs in my original search and therefore missed it.

Ondrej


On Thu, Oct 7, 2010 at 12:38, Berk Hess <gmx3 at hotmail.com> wrote:
> 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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