AMBER Archive (2004)

Subject: Re: AMBER: mm_pbsa problem

From: Ray Luo (rluo_at_uci.edu)
Date: Tue Aug 03 2004 - 18:18:48 CDT

Carsten Detering wrote:

> Dear ambers,
>
> I fixed the bug in pbsa (#4 under amber8), but still get an error:
>
> PB bom in pb_reslist: maxbr too small.
>
> Is that a (new) bug, or is there a another way around that?
>
> Thanks for help,
>
> Carsten
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> .
>
This is an known problem in the estimation of maximum nonbonded list.
Please use a larger "cutres" in the input file, such as 12 A. The
default is 10 A.

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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