Re: [AMBER] Antechamber trouble with COA-acyl chain

From: case <>
Date: Wed, 13 Jul 2011 17:58:30 -0400

On Wed, Jul 13, 2011, Erin Kelly wrote:

> Apparently the structure looks fine in Pymol--I ran the file through
> antechamber and it produced a mol2 file in about 1 second but produced no
> or sqm.out, is this correct? I've attached the mol2.

My guess(?) is that you used the wrong arguments to antechamber, perhaps
writing "-bcc" when you meant "-c bcc". If you correctly ask for bcc charges,
it should tell you it is running sqm, and take some minutes to complete.


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Received on Wed Jul 13 2011 - 15:00:02 PDT
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