Re: [gmx-users] Check V for NVT‏

Rama G jujurama at
Sat Aug 14 00:42:16 CEST 2010

Thanks guys,

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



From: Jussi Lehtola <jussi.lehtola at>
To: gmx-users at
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> 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, p. 191 50632
Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.lehtola at
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