On Tue, Oct 17, 2006, Lorenzo Gontrani wrote:
> Then I turned to box pressure
> equilibration, running a simulation at low temperature with tight coupling
> (taup = 0.01).
Don't do that. See if the problem goes away with taup of 1.0 or 2.0.
(Very small values of taup are both non-physical and dangerous.)
...dac
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Received on Wed Oct 18 2006 - 06:07:30 PDT
