AMBER Archive (2005)

Subject: AMBER: fast 1/r methods

From: Brent Krueger (kruegerb_at_hope.edu)
Date: Mon May 02 2005 - 06:51:56 CDT

I assume you guys are miles ahead of me on this. But on the off chance
you haven't heard about this work in Karl Freed's group:

A simple method for faster nonbonded force evaluations
Min-Yi Shen, Karl F. Freed
Journal of Computational Chemistry
Volume 26, Issue 7 , Pages 691 - 698

According to Karl, it gives a x2 speedup to force evaluation.

Cheers,
Brent

__________________________________________________________________
Brent P. Krueger phone: 616 395 7629
Assistant Professor fax: 616 395 7118
Hope College
Department of Chemistry
Holland, MI 49423

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