[gmx-users] Fluctuations in NVT and NPT resulting plots

Arman Mahboubi Soufiani armansoufiani at gmail.com
Sun Oct 21 09:17:01 CEST 2012

Dear Shima,

I am not sure whether you have gone through Justin's tutorials or not.
Moreover, how intense are your fluctuations?
You'd better take a look at the following link:

On Sun, Oct 21, 2012 at 10:34 AM, Shima Arasteh <shima_arasteh2001 at yahoo.com
> wrote:

> Dear gmx users,
> As I know, NVT equilibration is done on a ensemble with a constant V . I
> got the volume plot versus time. The resulting plot has some fluctuations.
> I don't know what it means?! Does it make sense?
> Also I don't know the meaning of the fluctuations in pressure of NPT and
> temperature of NVT!
> Would you please give me an advice?
> Thanks in advance.
> Sincerely,
> Shima
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