On Tue, Jun 21, 2011, David Cantu wrote:
>
> The error in the sqm.out file is:
>
> QMMM: ERROR!
> 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.
....dac
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Received on Wed Jun 22 2011 - 05:30:06 PDT
