Hi Abhishek,
> Now I want to equilibrate the box (at 298K and 1 atm pressure) to
> get the correct density. Then I will mix it with MEOH. How to do
> it. Thanks for your great help.
I would first minimize the box, then equilibrate at constant volume
and then at constant pressure. regards, Francois
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Received on Sat Sep 19 2009 - 00:00:02 PDT
