[gmx-users] Calculation of Temperature of Cluster

[Justin Lemkul]

On Mon, Apr 8, 2013 at 9:08 AM, Rasoul Nasiri <nasiri1355 at gmail.com> wrote:

> Bellow is my command which I used:
>
> g_clustsize_d -f traj.xtc  -s topol.tpr -n n.ndx -nc nclust.xvg -mc
> maxclust
> .xvg -ac avclust.xvg -mcn maxclust.ndx -cut 0.516 -temp Tempe.xvg
>
>
Then it is exactly what I said. Temperatures require velocities. Velocities
are not stored in .xtc files and thus you can't extract any temperature
information in this way.

-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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