> > Density = 0.6778
> The system has 2668 atoms. The first atom is Mg2+ and the following 18
> atoms belong to the water molecules of the complex. The rest of them are
> all solvent water molecules.
I wonder what would happen if you equilibrated density first.
I.e. constant pressure until density ~= 1.
Bill
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Received on Mon May 17 2010 - 11:30:03 PDT
