Re: [AMBER] Use leaprc.ff99SB force field

From: case <>
Date: Sat, 15 Jan 2011 09:48:24 -0500

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.


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Received on Sat Jan 15 2011 - 07:00:02 PST
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