> I ran MD for relaxation without TI and QMMM.
> After that, I did the same simulation. But, I had exactly the same issue.
So suspicion switches to your setup files. If you can send the prepin
and any frcmod for your ion/water complex to the list, we might be able
to spot something.
Bill
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Received on Mon May 17 2010 - 12:00:06 PDT
