If you use pbsa, then it's not used for anything.
snowyowls wrote:
> oh~
> i see
> thank you~~
> but i have another question
> what is the pqr file created during mm_pbsa caculation using for?
>
>
>
> 2006/3/13, Ray Luo < rluo.uci.edu <mailto:rluo.uci.edu>>:
>
> pbsa doesn't use your pqr file, it uses your prmtop file for
> charges and
> radii.
>
> > 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: rluo.uci.edu <mailto:rluo.uci.edu>
> Home page: http://rayl0.bio.uci.edu/rayl/
> ====================================================
>
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>
--
====================================================
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/
====================================================
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Received on Sun Mar 19 2006 - 06:10:18 PST
