> Is the large 1-4eel value, due to net charge not
> being close to zero (0.00006)?
Unlikely. You should send your energies so we can see what
you are talking about. Possibly there is a mistake in your
charge derivation. Have you tried simulating your ligand
by itself?
Bill
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Received on Thu Apr 15 2010 - 08:00:04 PDT
