Re: Large Benchmarks

From: Richard Wood (
Date: Thu Oct 11 2007 - 20:03:22 CDT

Hi all, It's funny how some of us have never heard of some of these "MD experts". Richard Richard L. Wood, Ph. D. University of Minnesota Dept. of Medicinal Chemistry, College of Pharmacy 717 Delaware St. SE Minneapolis, MN 55414-2959 ----- Original Message ---- From: Philip Peartree <> To: Richard Law <> Cc: "" <> Sent: Thursday, October 11, 2007 7:09:13 PM Subject: Re: namd-l: Large Benchmarks No, but I did share a lab with Richard until last week! I didn't know he used NAMD much. I will try with a large water box and see where I get... Quoting Richard Law <>: > > It would actully be a better benchmark than having a protein or/and > membrane for which the density will vary significantly depending on > the system when what you want to be able measure is a scalable system > for different numbers of atoms per processor. Different settings for > your cut-offs and electrostatics will alter scaling a lot. > > Btw - Richard Henchman is at Manchester - he is an expert on these > kinds of thing. Have you spoke to him? > > Rich. > ____________________________________________________________________________________ Tonight's top picks. What will you watch tonight? Preview the hottest shows on Yahoo! TV.

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