On Thu, May 19, 2016, Hannes Loeffler wrote:
>
> I suppose this should be painfully obvious but just to confirm how to
> set up a system with GAFF2.
>
> antechamber -at gaff2 which triggers atomtype -p gaff2
> parmchk2 -s gaff2
>
> and finally, in leap:
>
> source leaprc.gaff2
Above is correct....dac
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Received on Thu May 19 2016 - 05:30:04 PDT
