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AMBER Archive (2003)Subject: Re: AMBER: RESP charges
From: Joey Harriman (s808o_at_unb.ca)
Hi,
I'm not sure if this helps of not, but I've always been under the impression that a
# HF/6-31G* pop=mk scf=tight iop(6/33=2) iop(6/42=6) opt test
When doing the antechamber conversion I use the following input:
> antechamber -i name.out -fi gout -o name.mol2 -fo mol2 -nc -2 -c resp
Hope this helps....
-Joey
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