Re: [AMBER] unable to find mopac charges

From: David A Case <>
Date: Thu, 11 Oct 2012 08:00:01 -0400

On Thu, Oct 11, 2012, Anogna wrote:
> I am not able get whats the problem. Can you plz help with this.

The mopac job never completed, and did not show any error messages in the file
itself. I suggest running the mopac job by hand, to see if any messages come
to stderr. A reason for moving from mopac to our own code (sqm) is so that we
would have a chance to debug problems that arise. Given that the current
codes work, I doubt that anyone on the list will have enough knowledge of
mopac internals to be able to help here. My only WAG is to check that your
job didn't run into some local time or disk limit that forced it to quit.


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Received on Thu Oct 11 2012 - 05:30:04 PDT
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