Re: [AMBER] antechamber

From: case <>
Date: Tue, 6 Apr 2010 07:46:21 -0400

On Tue, Apr 06, 2010, Asfa Ali wrote:

> However as given in the tutorial,
>, mopac.out, mopac.pdb
> are not created instead and sqm.out are created. Is my protocol
> correct? Moreover how to analyse and sqm.out ?

Starting with AmberTools 1.3, mopac has been replaced with sqm. It should
be straightforward to understand what is in sqm.out.

(Developers: who wants to update the tutorial?)


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Received on Tue Apr 06 2010 - 05:00:03 PDT
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