[AMBER] PNEB on GPUs

From: William Cantara <wcantara.gmail.com>
Date: Wed, 28 Sep 2011 23:20:30 -0400

Amberites,

I am interested in purchasing a GPU workstation similar to the one described
by Dr Ross Walker at (http://ambermd.org/gpus/index.htm#Hardware). I would
like to begin doing some PNEB simulations to investigate the optimum pathway
between two conformational states of small RNA stem loops. Will a
workstation with 2x GTX 580 GPUs be able to run using the multisander
functionality for a pathway of ~32-64 snapshots in a reasonable amount of
time? If not, is this something that is being worked on?

Thank you in advance for any help!

Adieu,

Will Cantara

Graduate Student
Dept. Mol. & Struct. Biochemistry
North Carolina State University

Research Project Assistant
The RNA Institute
Dept. Biological Sciences
University at Albany, SUNY
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Received on Wed Sep 28 2011 - 20:30:02 PDT
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