> We are simulating a protein of ~7500 residues using PME with pmemd. It
> is quite negatively charged, so we added ~250 counter ions (Na+) with
> the Leap (function addIons). The protein is really unstable, which is
> not what we expected.
Did you add water too?
Bill
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Received on Wed Dec 19 2007 - 06:07:32 PST
