Re: [gmx-users] Check V for NVT‏

[Rama G]

Thanks guys,

Sorry, I did not find "Density" in version 4.0.7. nor Box-X, Y, Z.
Any other way out?

Best,

Juju




________________________________
From: Jussi Lehtola <jussi.lehtola at helsinki.fi>
To: gmx-users at gromacs.org
Sent: Fri, August 13, 2010 3:29:56 PM
Subject: Re: [gmx-users] Check V for NVT‏

On Fri, 13 Aug 2010 18:23:40 -0400
"Justin A. Lemkul" <jalemkul at vt.edu> wrote:
> Rama G wrote:
> > Hi Gmx users,
> > 
> > I am using 4.0.X version of Gromacs and doing a NVT simulation. Now
> > I wanna check if the Volume is constant after the simulation.
> > I tried g_energy but did not find "Volume" in the pool of the
> > options. Can anyone help me?
> > 
> 
> Box-X, -Y, and -Z are in the .edr file.  From these, you can
> calculate the volume.

Or, you can just tell g_energy to calculate the density - if it's
constant then so is the volume...
-- 
------------------------------------------------------
Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.lehtola at helsinki.fi, p. 191 50632
------------------------------------------------------
Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.lehtola at helsinki.fi
------------------------------------------------------
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