Pressure should fluctuate significantly. The estimator for the
pressure that is generally used is very noisy. The question is, do the
pressure averages over, say, 500 ps or 1 ns look about right?
On Sun, Aug 25, 2013 at 5:07 PM, Mark Abraham wrote:
> On Sun, Aug 25, 2013 at 6:22 PM, rahul seth
>
On Sun, Aug 25, 2013 at 6:22 PM, rahul seth
wrote:
> Hi All,
>
> I have been trying to perform NPT-REMD with a Protein Substrate and water.
> I am trying to use md+nose-hoover thermostat and parrinello-rahman
> barostat. However, I am not quite sure about the tau-t and the tau-p that I
> should be
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