On Tue, Sep 15, 2015 at 10:29 AM, Sofia Vasilakaki <svasilak.chem.uoa.gr>
wrote:
> Ok. I thought you could use it separately using:
>
> sqm [-O] -i <input-file> -o <output-file>
>
> as it has been described in the manual.
>
You can, but if your aim is to use SQM to minimize and derive AM1 charges,
why not just use antechamber which does it all for you?
And as far as I know, RESP requires Gaussian when using Amber (you can use
GAMESS for R.E.D.).
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Sep 15 2015 - 08:00:04 PDT
