[gmx-users] Calculation of Temperature of Cluster

[Justin Lemkul]

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).

-Justin


> 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)
231-9080http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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