Hi,
FWIW Scott LaGrand at NVIDIA (he got his PhD with me many moons ago)
contacted me about porting AMBER to GPUs. I invited him to the AMBER
meeting to go over what he has been doing along these lines, but no
word yet if he will attend. Basically, I think he will or would like
to create a GPU based PMEMD and/or Sander. I believe he worked on
Pande's port as well.
Kennie
On 6 Feb 2009, at 11:16 AM, David A. Case wrote:
> FYI -- the openMM stuff is now being announced:
>
> http://www.hpcwire.com/offthewire/Stanford-U-Software-Speeds-up-Molecular-Simulations-39145597.html
>
> ....dac
>
>
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Professor Kenneth M. Merz, Jr.
Department of Chemistry
Quantum Theory Project
2328 New Physics Building
PO Box 118435
University of Florida
Gainesville, Florida 32611-8435
e-mail: merz.qtp.ufl.edu
http://www.qtp.ufl.edu/~merz
Phone: 352-392-6973
FAX: 352-392-8722
Cell: 814-360-0376
“Rule one: Never allow a crisis to go to waste. They are opportunities
to do big things.”
Mr. Rahm Emanuel
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Received on Sun Feb 08 2009 - 01:13:31 PST
