From: Eugen Leitl (eugen@leitl.org)
Date: Mon Apr 08 2002 - 05:09:00 MDT
On Mon, 8 Apr 2002, Ben Houston wrote:
> Well for computer aided drug design where QM/MM is central there is an
> add-in board for a high-end PC that can deliver 100 teraflops when used
> in a 4 machine MMD cluster. Here's some info about it from IBM:
> http://www.research.ibm.com/grape/
Oh, I've heard about GRAPE, but so far from astrophysics papers only.
Mparticle MD is a special case for pharma, though, they're largely
concerned with virtual screening of small molecule libraries, though some
do peptides, of course.
Ben, do you know any pharma company which uses clustered MD-GRAPE on a
nontrivial scale (few 100 nodes), or are you bound by NDA?
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