On Wed, Sep 29, 2004, Rasha Radwan wrote:
> I need to know how to build a topology and
> coordinate files for pure water box. I know how to solvate any molecule in a
> water box, but my main concern is to get the water box by itself without any
> thing being solvated inside it.
Probably the most straightforward thing to do is to solvate a single water
molecule with water...this gives you a box of pure water (which would need
to be equilibrated).
....good luck...dac
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Received on Wed Sep 29 2004 - 16:53:01 PDT
