AMBER Archive (2005)

Subject: Re: AMBER: fast 1/r methods

From: fangyu liang (fliang_at_usc.edu)
Date: Mon May 02 2005 - 09:17:32 CDT

Brent,

Thank you very much! I was looking for stuff like this for long time.

----- Original Message -----
From: Brent Krueger <kruegerb_at_hope.edu>
Date: Monday, May 2, 2005 4:51 am
Subject: AMBER: fast 1/r methods

> 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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