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
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
> 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 wrote:
> Hİ,
> Thank you for reply but can i minimize fluctuation?
>
> On Wed, Nov 22, 2017 at 11:05 PM, Mark Abraham
> wrote:
>
> > Hi,
> >
> > It's hard to
Hİ,
Thank you for reply but can i minimize fluctuation?
On Wed, Nov 22, 2017 at 11:05 PM, Mark Abraham
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
>
>
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 wrote:
> Hİ all,
>
> I ran simulation of pvdf(ligand) in solution. My problem is pre
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
ave
