[gmx-users] Pressure Fluactiation

[ali akgün]

I will run with bigger nsteps (like monte carlo :D) , thank you for reply
sir.

On Wed, Nov 22, 2017 at 11:17 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Yes, by running longer, or on a larger system, just as statistical
> mechanics predicts.
>
> Mark
>
> On Wed, Nov 22, 2017 at 10:16 PM ali akgün <ali.akgunphys at gmail.com>
> wrote:
>
> > 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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