Hi,
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
(Any particular reason why the command line flags are all different?)
and finally, in leap:
source leaprc.gaff2
Many thanks,
Hannes.
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Received on Thu May 19 2016 - 02:30:04 PDT
