[gmx-users] Calculation of Temperature of Cluster

Justin Lemkul jalemkul at vt.edu
Mon Apr 8 15:04:21 CEST 2013

On Mon, Apr 8, 2013 at 9:01 AM, Rasoul Nasiri <nasiri1355 at gmail.com> wrote:

> Dear All,
> I tried to use g_clustsize_d program for estimation of temperature of
> cluster/nanodroplet but the temperature output file is empty. Could you
> comment where is the problem?
Not without seeing your command line. I'd be willing to guess that you
either used an .xtc file (which does not store velocities) or a .trr that
didn't save velocities (i.e. nstvout = 0).


> Please note that I can get Temperature of system using g_energy_d but I'm
> interest to know cooling effect of nano-drop after evaporation.
> Best
> Rasoul
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540)


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