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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Received on Tue May 24 2011 - 07:30:03 PDT
