On Tue, Nov 22, 2005, Zhang Bing wrote:
>
> 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.
For some reason, the program is not finding in ATOM cards in the "*_lig.pdb.1"
file (or whatever the input pdb file is at this point). You should check
that the pdb file looks OK. You could also add a print statement after
line 562 of the mm_pbsa_calceneent.pm file to see extactly what it is looking
at, to see why the program is never incrementing the $count variable.
....dac
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Received on Tue Nov 22 2005 - 16:53:00 PST
