[gmx-users] pressure is coming 1.39

[Mark Abraham]

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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