AMBER Archive (2005)

Subject: Re: AMBER: error in pbsa calculation

From: Ray Luo (rluo_at_uci.edu)
Date: Tue Apr 26 2005 - 16:39:50 CDT

Mingche,

>
> PB Bomb in setgrd(): focusing grid too large 2
> reset fillratio to a larger number 2.000
>
Please change fillratio to 4.0 instead of 2.0 in your input file as
instructed.

Ray 

-- 
====================================================
Ray Luo, Ph.D.
Department of Molecular Biology and Biochemistry
University of California, Irvine, CA 92697-3900
Office: (949)824-9528         Lab: (949)824-9562
Fax: (949)824-8551          e-mail: rluo_at_uci.edu
Home page: http://rayl0.bio.uci.edu/rayl/
====================================================

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