On Mon, Mar 13, 2006, Steve Seibold wrote:
>
> I am attempting to do an example (Thiophenol) in the AMBER8 manual on
> using Antechamber, but it is not working. It starts out ok and I get a
> correct "tp.mol2" file, but my "frcmod" is incorrect, according to the
> manual. According to the manual, I should have some parameters
> missing,
Please read the first full paragraph on p. 83 carefully. For thiophenol,
you should not have any missing parameters.
...dac
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Received on Sun Mar 19 2006 - 06:10:08 PST
