Hello! I decided to apply the periodic boundary conditions along the x, y directions only , and the solvent atoms close to the z boundary was prevented from evaporation via a restraining potential of k(Z -Zboundary)^2. It seems that have to change the source code , but I don't how to do that, I hope you can give me a hand. thank you very much!
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Received on Tue Mar 23 2010 - 19:00:03 PDT
