Re: [AMBER] Unable to find mopac charges in mopac.out

From: David A Case <david.case.rutgers.edu>
Date: Fri, 2 Sep 2016 08:31:07 -0400

On Fri, Sep 02, 2016, Sneha Rai wrote:

> Please find attached the input ligand file.

Your molecule has a net charge of -6, but the default for antechamber is 0.
You will need to use the "-nc" option to specify the charge.

...good luck....dac


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Received on Fri Sep 02 2016 - 06:00:04 PDT
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