[gmx-users] Calculation of Temperature of Cluster

[Rasoul Nasiri]

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

Rasoul


On Mon, Apr 8, 2013 at 2:04 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

> 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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