[gmx-users] Calculation of Temperature of Cluster
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.
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Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540)
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