[gmx-users] Calculation of Temperature of Cluster

Justin Lemkul jalemkul at vt.edu
Mon Apr 8 15:10:25 CEST 2013

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


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