[AMBER] MM-PB/SA calculation problem

From: ½ªÐ¦éª <jiangxn.mail.sioc.ac.cn>
Date: Tue, 24 May 2011 14:03:32 +0800 (CST)

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 Mon May 23 2011 - 23:30:02 PDT
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