From: Richard Wood (rwoodphd_at_yahoo.com)
Date: Thu Oct 11 2007 - 20:03:22 CDT
It's funny how some of us have never heard of some of these "MD experts".
Richard L. Wood, Ph. D.
University of Minnesota
Dept. of Medicinal Chemistry,
College of Pharmacy
717 Delaware St. SE
----- Original Message ----
From: Philip Peartree <P.Peartree_at_postgrad.manchester.ac.uk>
To: Richard Law <rlaw_at_hanyou.llnl.gov>
Cc: "namd-l_at_ks.uiuc.edu" <namd-l_at_ks.uiuc.edu>
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
NAMD much. I will try with a large water box and see where I get...
Quoting Richard Law <rlaw_at_hanyou.llnl.gov>:
> 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?
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