> AddToBox can handle any unit cell shape; it takes PDB files of your solute
> and a model of your solvent particle as input and returns a PDB file of
> the whole system.
Leap's setBox would need to be modified to handle this, or if the
box dimensions are stated in the pdb, loadpdb might be modified.
It still depends on whether sander/pmd can handle the box angles.
Bill
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Received on Fri Oct 22 2010 - 12:00:03 PDT
