Re: AMBER: Ask for help in pbsa error in AMBER9

From: Ray Luo <rluo.uci.edu>
Date: Thu, 08 Jun 2006 12:01:06 -0700

Cheng,

This has been reported before. please set fillratio to a number larger
than 2, for example 4, as specified in pbsa output file.

> PB Bomb in setgrd(): focusing grid too large 2
> reset fillratio to a larger number 2.000

Best,
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.uci.edu
Home page: http://rayl0.bio.uci.edu/rayl/
====================================================
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Jun 11 2006 - 06:07:13 PDT
Custom Search