Ondrej Marsalek wrote:
On Wed, Sep 29, 2010 at 21:56, David van der Spoel <sp...@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
--
========================================
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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