> As usual we add ions to make the system neutralized. Now the system
> have seven negative charge, but I want to keep the system with one net
> negative charge .So how to dea with it in tleap?
You can specify the desired net charge in tleap. Try 'help addions'
for details.
Bill
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Received on Tue Mar 30 2010 - 10:30:03 PDT
