[gmx-users] Pressure Fluactiation
ali.akgunphys at gmail.com
Wed Nov 22 22:15:51 CET 2017
Thank you for reply but can i minimize fluctuation?
On Wed, Nov 22, 2017 at 11:05 PM, Mark Abraham <mark.j.abraham at gmail.com>
> 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
> > 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
> > average pressure and reference pressure non-equality? I want to control
> > system pressure because I research about pressure depended potential
> > the box behavour of the pvdf.
> > Thank you.
> > --
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