[gmx-users] RE: average pressure of a system

Tsjerk Wassenaar tsjerkw at gmail.com
Thu Sep 12 08:40:02 CEST 2013

Hi Dallas, Justin, e.a.,

As has been mentioned a number of times 0.9 +- 190 and 2.3 +- 190 are not
> statistically different.

This is not true. Whether this is statistically different depends on the
number of independent samples. For pressure, the fluctuations are wild, and
the autocorrelation is low, so for a reasonable length simulation you'll be
able to get sufficient samples to mark a small difference like that as
statistically significant. Whether it is physically significant is quite a
different matter.



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