Hello,
When I provide a structure for Antechamber, and then it creates charges
using am1bcc, sqm is run, and it outputs a structure as well (and the
structure is different from the one I provided).
Are the AM1 mulliken charges being created based on the electronic density
of the structure I provided antechamber, or the "optimized" structure that
sqm insists on outputting?
If sqm's structure is being used, can I tell it not to?
Thanks,
Melania
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Received on Sat Jun 22 2019 - 00:00:01 PDT
