On Thu, Sep 20, 2012, davide.savy.unina.it wrote:
> I am a new user at the very beginning. I need to create a box with 20
> sodium benozate molecules (I have already created the mol2 file in
> xleap). Now, I need to solvate them with 190 water molecules: how can
> I do that?
Jason suggested one alternative; packmol is another (perhaps more
straightforward) way of creating starting conditions for mixed solvents.
Tutorial A15 might be helpful, or you can just examine the packmol
documentation itself.
...dac
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Received on Thu Sep 20 2012 - 13:30:03 PDT
