VMD-L Mailing List
From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Thu Aug 20 2015 - 10:37:12 CDT
(Very) large pressure fluctuations are expected
What value do you get if you average over the whole trajectory?
On 20 August 2015 at 15:54, Daniela Rivas <dani.rivas.r_at_gmail.com> wrote:
> I have a question about the Namd Plot Plugin. When I select to plot the
> Pressure, what exactly does it plot? I'm getting really high pressures
> (around 2.000 bar) and it doesn't make sense to me.
> My Namd log file is from a Molecular Dynamics simulation of a membrane
> protein (150.000 atoms in the system app.). I set the pressure at 1 atm but
> also used the *useGroupPressure.*
> Thanks in advance,