[gmx-users] Calculation of Temperature of Cluster

Justin Lemkul jalemkul at vt.edu
Mon Apr 8 15:30:55 CEST 2013

On Mon, Apr 8, 2013 at 9:24 AM, Rasoul Nasiri <nasiri1355 at gmail.com> wrote:

> Justin,
> Thanks for your comment.
> Instead of .xtc, I just used .trr in which nstvout isn’t zero. I'm still
> encountering to empty file for temperature.
Can you please provide the gmxcheck output for the .trr file? I suppose
there could be a bug, but we need to rule out a few things first. If
g_clustsize still fails, you can get the output temperature from g_traj
-ot, which appears to have a redundant function.




Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540)


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