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

From: jiangxn <jiangxn.mail.sioc.ac.cn>
Date: Wed, 25 May 2011 09:40:43 +0800 (CST)

Hello,

I find it. Thank you very much!

Jiangxn


> -----原始邮件-----
> 发件人: "Bill Miller III" <brmilleriii.gmail.com>
> 发送时间: 2011年5月25日 星期三
> 收件人: "AMBER Mailing List" <amber.ambermd.org>
> 抄送:
> 主题: Re: [AMBER] MM-PB/SA calculation problem
>
> 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, jiangxn <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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