On Mon, Jul 08, 2013, Parker de Waal wrote:
>
> I just finished a 1 ns equilibrium run and all of my parameters seem to
> have leveled out fine except for pressure which averaged at -0.2514
> Does this seem acceptable? I was expecting something around 1 atm...
-0.25 is actually very close to 1.0...look at the RMS fluctuations in the
pressure. Basically, the pressure varies a lot with tiny changes in the
volume. There is an old discussion of this point here:
http://ambermd.org/Questions/pressure.html
...dac
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Received on Tue Jul 09 2013 - 05:00:03 PDT
