Re: [AMBER-Developers] new thermostat

From: David A Case <case.biomaps.rutgers.edu>
Date: Fri, 1 Apr 2011 15:49:57 -0400

On Fri, Apr 01, 2011, dcerutti.rci.rutgers.edu wrote:

>
> More recently, I've been able to exploit repeating pseudo-random number
> sequences in the barostat, allowing me to get phase transition properties
> of (TIP3P) water to remarkable precision with only a few tens of
> nanoseconds of MD.

Great! Do you see ice-nine? ....dac


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Received on Fri Apr 01 2011 - 13:00:02 PDT
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