AMBER Archive (2005)

Subject: AMBER: MM_PBSA problem

From: Zhang Bing (nnizb_at_nus.edu.sg)
Date: Tue Nov 22 2005 - 09:37:32 CST

Dear all:

 

When I was running a MM_GBSA calculation, I got some error report like:
Illegal division by zero at AMBERHOME/src/mm_pbsa/mm_pbsa_calceneent.pm
line 579 every time when it started to calculate the *_lig.pdb.1. I
checked the line 579 in the mm_pbsa_calceneent.pm file, but could not
figure anything out.

 

In my complex, there is a water molecule located in the active site, I
took this water as a part of the receptor, it seemed all right, coz for
each time, the calculation could go through the *_rec.pdb.* phase.

 

Any advice from you will be greatly appreciated!

 

Thanks a lot!

 

 

Regards,

 

Zhang Bing

 

NUSNNI

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