[gmx-users] Calculation of Temperature of Cluster

[Justin Lemkul]

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

-- 

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

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