On Fri, Jan 14, 2011, Jan Wahl wrote:
> i should use the leaprc.gaff force field ( or is there any other good
> force field??)
GAFF is the only force field supported by the Amber programs that will handle
general organic molecules.
>
> Also i should use the generated .mol2 by antechamber for parmchk???
That's what I use. The "prep" format is deprecated, and the ac format is
primarily for debugging. So I recommend using a mol2 file.
...dac
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Received on Sat Jan 15 2011 - 07:00:02 PST
