Re: [AMBER-Developers] new thermostat

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Fri, 1 Apr 2011 17:37:49 -0400

not as long as he unplugged the computer before it spread!


On Fri, Apr 1, 2011 at 5:35 PM, Adrian Roitberg <roitberg.qtp.ufl.edu> wrote:
> Dave oh Dave
> If he had seen ice nine, we would all be dead !
>
> ;-)
>
> On 4/1/11 3:49 PM, David A Case wrote:
>> 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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>
> --
>                            Dr. Adrian E. Roitberg
>                              Associate Professor
>                Quantum Theory Project, Department of Chemistry
>                            University of Florida
>
> on Sabbatical in Barcelona until August 2011.
> Email roitberg.ufl.edu
>
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> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>

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Received on Fri Apr 01 2011 - 15:00:04 PDT
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