Hi,
Is it possible to use sqm for geometry optimization of a ligand and use
the output for deriving AM1 or RESP charges in antechamber?
Saying this, what is a typical input / output file for running sqm opt ?
I think there is no tutorial about sqm and how to use it on its own.
Thank you,
Sofia V.
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Received on Tue Sep 15 2015 - 07:30:04 PDT
