[gmx-users] Re: Problem with pressure coupling

[Justin A. Lemkul]

Ondrej Marsalek wrote:
> 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?
> 

http://bugzilla.gromacs.org/show_bug.cgi?id=579

-Justin

> Regards,
> Ondrej

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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