Re: [AMBER] antechamber failing with -mul option and sqm

From: case <>
Date: Wed, 9 Jun 2010 21:18:41 -0400

On Wed, Jun 09, 2010, Alan wrote:
> antechamber -fi mol2 -fo ac -i drug.mol2 -o -c mul

I confirm that this is broken; we must never have tested the "-c mul" option.
We'll try to get a fix soon.

You have your own workaround; others who may need mulliken charges can use "-c
bcc", then get the mulliken charges from the sqm.out file.

Thanks for the report.


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Received on Wed Jun 09 2010 - 18:30:03 PDT
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