Okay, it looks like our problem is with the mopac program itself, because we get the same behavior when we run the test case as you've described here. Perhaps more troubling, I don't see a file named mopac.out to look for clues. I'd appreciate any advice you can offer about what's gone wrong and how we might fix it. Thanks.
-Jennifer
-----Original Message-----
Usual question (sorry if I missed this in earlier posts): do the test cases
work? Go to $AMBERHOME/test/antechamber/tp and type './Run.tp' Does this
work? Look at the mopac.out file for clues if bad things happen. But this
will narrow down whether this is a problem with the mopac program itself, or
with the input for your particular molecule.
...dac
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Received on Mon Nov 30 2009 - 07:00:03 PST
