[gmx-users] Fwd: monitor the size of the computational box

[Peter Kroon]

gmx energy or g_energy has (should have) an option to output the box
size as volume or x/y/z lengths as a function of time.

Peter

On 13/07/15 10:41, Giannis Gl wrote:
> Dear all,
>
> I would like to ask what is the best way to monitor the size of the
> computational box (i.e. the volume)
> during a simulation. I know that it must stay constant during the
> simulation but, in my case, it seems that it doesn't.
> There is an error poping up when I try to use the gmx hbond tool,
> specifically "Your computational box has shrunk too much",
> and I've read that it is reccomended to plot the box volume as a function
> of time. How can I do this?
> Thanking you in advance,
>
> John G.