AMBER Archive (2006)

Subject: Re: AMBER: quistions about pbsa cacultaion

From: Ray Luo (
Date: Mon Mar 13 2006 - 01:26:53 CST

pbsa doesn't use your pqr file, it uses your prmtop file for charges and

> dear all amber user:
> right now i have run a pbsa caculation
> in th input file of mm_pbsa
> i using the parm set as PROC=1 it means i use the pbsa program of the
> amber suite
> then i find that there are something abnormality in pqr files
> there are no charge infomations, pqr file turn to a pr file,
> hehe

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:
Home page:

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