Re: [AMBER] MM-PB/SA calculation problem

From: Bill Miller III <brmilleriii.gmail.com>
Date: Tue, 24 May 2011 15:41:37 -0400

This has also been answered in a previous thread last year.

http://archive.ambermd.org/201003/0440.html

-Bill

On Tue, May 24, 2011 at 10:14 AM, Ray Luo, Ph.D. <ray.luo.uci.edu> wrote:

> Can you try the latest and free AmberTool package for your mmpbsa
> calculations?
>
> Ray
>
> On Mon, May 23, 2011 at 11:03 PM, 姜笑楠 <jiangxn.mail.sioc.ac.cn> wrote:
> > Hello, all
> >
> > I did the MM-PB/SA calculation. In my case, there are following warning
> words. And the calculation has an abnormal termination. What shall do to
> deal with this problem? Thank you very much!
> >
> > MAXAT=10000 exceeded
> > MAXAT=10000 exceeded
> > Use of uninitialized value in multiplication (*) at
> /disk0/programs/amber9/src/mm_pbsa/mm_pbsa_statistics.pm line 1376.
> > Use of uninitialized value in multiplication (*) at
> /disk0/programs/amber9/src/mm_pbsa/mm_pbsa_statistics.pm line 1376.
> > No data for 0+0 MS SURF 0
> >
> >
> >
> >
> >
> >
> >
> >
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> >
>
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-- 
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Tue May 24 2011 - 13:00:02 PDT
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