[gmx-users] Pressure Fluactiation

Mark Abraham mark.j.abraham at gmail.com
Wed Nov 22 22:06:01 CET 2017


It's hard to say anything in the absence of any numbers about average or
fluctuations. Do check out


On Wed, Nov 22, 2017 at 9:59 PM ali akgün <ali.akgunphys at gmail.com> wrote:

> Hİ all,
>  I ran simulation of pvdf(ligand) in solution. My problem is pressure
> fluctuation, My system's pressure fluctuated around reference pressure and
> average pressure is not equal to my reference pressure. I did well
> minimisation and nvt run for system before npt run. What should i do about
> average pressure and reference pressure non-equality? I want to control
> system pressure because I research about pressure depended potential across
> the box behavour of the pvdf.
> Thank you.
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