[AMBER] AM1 scalability

From: Jacopo Sgrignani <sgrigna.sissa.it>
Date: Tue, 24 Apr 2012 17:12:00 +0200

Dear all
could you give me infos about scalability of MD calculations with
QM(AM1)/MM in amber12.
Does anybody experience for this type of calculations on a blue-gene machine.

Thanks a lot

Jacopo

-- 
Jacopo Sgrignani PhD
CNR-IOM-Democritos National Simulation Center
c/o International School for Advanced Studies (SISSA/ISAS)
via Bonomea 265,
34136
Trieste
Italy
email: sgrigna.sissa.it
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Received on Tue Apr 24 2012 - 08:30:03 PDT