> If I go for solvatebox solvent solvent 10
>
> The solvent molecule is at center surrounded my other solvent molecules.
> Will it be the proper initial structure for the equilibration steps .
Try it and see..
You can equilibrate the box, convert to pdb, loadpdb, set the box,
and saveoff the box to use in solvating something else.
Note that you need a residue definition for your solvent molecule.
Bill
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Received on Wed May 19 2010 - 12:00:03 PDT
