Re: [AMBER] Fwd: Is it possible to do REMD for a 12000 atom molecule?

From: Adrian Roitberg <roitberg.qtp.ufl.edu>
Date: Tue, 23 Aug 2011 15:30:32 -0400

Hi
I am not sure at all what you mean by "serial (step-by-step)"

In any case, unless something strange happens, pmemd will be released in
amber12 (april 2012??) with native remd capabilities. The GPU version
might also be released then if we can get it working efficiently.


On 8/23/11 3:24 PM, Dmitry Mukha wrote:
> serial (step-by-step) 

-- 
                            Dr. Adrian E. Roitberg
                                  Professor
                Quantum Theory Project, Department of Chemistry
                            University of Florida
                              roitberg.ufl.edu
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Received on Tue Aug 23 2011 - 13:00:03 PDT
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