On Fri, Oct 16, 2015, li he wrote:
> ~/software/amber12/AmberTools/bin/antechamber -i ../CEP-121G-P.log -fi
> gout -o KEG.mol2 -fo mol2 -c esp -nc -3 -s 0
> I try these ways, and antechamber crash. Am I doing anything wrong?
I suspect that antechamber is so attuned to organic complexes that you
should not expect it to work with lots of W atoms, and that you need to run
resp calculations "by hand" (using either the R.E.D. server or the Amber
"resp" program), and not rely on antechamber.
....dac
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Received on Thu Oct 15 2015 - 13:30:03 PDT
