AMBER Archive (2009)

Subject: RE: [AMBER] trouble with antechamber

From: Jennifer L. Muzyka (
Date: Mon Nov 30 2009 - 08:39:15 CST

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.

-----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 './' 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.


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