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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Received on Wed Nov 23 2005 - 00:53:00 PST
