AMBER Archive (2005)

Subject: Re: AMBER: mm_pbsa

From: Ray Luo (rluo_at_uci.edu)
Date: Sun Aug 21 2005 - 13:29:41 CDT

So please set "cutfd" to a smaller value as instructed (see pbsa manual
for explanation). You can add new input key words at the pb section in
your mmpbsa script, or just change your "pbsa.in" file.

Best,
Ray

> Thank you very much for your help. I would like to change the grid
>size resolution to 0.65Angs. I have changed the SCALE parameter of
>mm_pbsa.in file inorder to get the desired resolution.
> Some errors occur as follow,
>PB bomb in pb_read(): cutfd must be <= cutsa
>
> 

-- 
====================================================
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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