[gmx-users] Pressure Fluactiation

ali akgün ali.akgunphys at gmail.com
Wed Nov 22 22:15:51 CET 2017


Hİ,
 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>
wrote:

> Hi,
>
> It's hard to say anything in the absence of any numbers about average or
> fluctuations. Do check out
> http://www.gromacs.org/Documentation/Terminology/Pressure
>
> Mark
>
> 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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