[gmx-users] pressure is coming 1.39

[Bratin Kumar Das]

Thanks sir for your reply. My target pressure was 1 atm..

On Sat 7 Sep, 2019, 8:15 PM Mark Abraham, <mark.j.abraham at gmail.com> wrote:

> Hi,
>
> Without a statistical error estimation and a target pressure, the question
> can't be answered. Pressure takes time to measure, and you need to do so
> only after equilibration. 1.39 +/- 3 bar might be fine
>
> Mark
>
> On Sat., 7 Sep. 2019, 07:48 Bratin Kumar Das, <177cy500.bratin at nitk.edu.in
> >
> wrote:
>
> > Hi,,
> >      I am doing a simulation of peptide in water. After 10 ns npt
> > equilibration the average pressure is coming 1.39 and density is coming
> > 1005.71 kg/m3. Can I proceed for production run? And what is the upper
> and
> > lower limit for the pressure ...after which we can continue production
> run?
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