Re: [AMBER] Antechamber Error

From: David A Case <>
Date: Wed, 22 Jun 2011 08:08:04 -0400

On Tue, Jun 21, 2011, David Cantu wrote:
> The error in the sqm.out file is:
> QMMM: Unable to achieve self consistency to the tolerances specified
> QMMM: No convergence in SCF after 1000 steps.

Please read Note 6 on p. 88 of the Users' Manual.
> Also, on a more general note, when running antechamber, and it works (not
> the case with the molecule here), I do not get any mopac files. Is something
> wrong withe antechamber?

Antechamber no longer uses mopac, but sqm instead.


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Received on Wed Jun 22 2011 - 05:30:06 PDT
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