[gmx-users] Check V for NVT‏

[Jussi Lehtola]

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...
-- 
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Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.lehtola at helsinki.fi, p. 191 50632
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Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.lehtola at helsinki.fi
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