AMBER Archive (2009)

Subject: Re: [AMBER] antechamber

From: case (case_at_biomaps.rutgers.edu)
Date: Wed Jul 01 2009 - 07:04:02 CDT

On Wed, Jul 01, 2009, Alan wrote:

> Total number of electrons: 716; net charge: 0
>
> Running: /Users/alan/Programmes/amber10/bin/mopac.sh
> Error: unable to find mopac charges in mopac.out

The error message should be more explicit here -- you need to look at
mopac.out to (try to) find reasons why the charge calculation did not work.
It is a large molecule, and might not have converged, or something might have
gone wrong....

....dac

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