[gmx-users] VOlume of box

[Tsjerk Wassenaar]

Hi Anik,

In NVT the box doesn't change. The volume of the box is the product of the
first three numbers of the last line of a GRO file. gmx energy can also
extract the system volume if you run in NpT.

Cheers,

Tsjerk

On Tue, Jun 30, 2015 at 11:21 AM, Anik Sen <anik.sen at kemi.uu.se> wrote:

> Dear Sir,
>                   I am using the latest version of GROMACS, with TIP4P
> solvent model and AMBER03 forcefield for my calculations. Does the program
> changes the box size or volume after a complete run of MD.
> I used NPT  ensemble for the equilibration steps and NVT ensemble for the
> production run.
>
> How can I check the latest box volume.
>
> With regards..
> Anik
>
> Dr. Anik Sen,
> Post Doctoral Fellow,
> Ångströmlaboratoriet- Uppsala Universitet
> Box 538
> SE-751 21 Uppsala
> Sweden
> Phone no:- +46-722781705
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-- 
Tsjerk A. Wassenaar, Ph.D.