[gmx-users] Re: Problem with pressure coupling

Ondrej Marsalek 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?

Regards,
Ondrej



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