> the vof the first box is much bigger so it needs more water. you don't
> really say whether the complex is a larger structure (dimensions) or not.
> Leap seems to think it is.
Comparing the max xyz for the two models, it is clear that the first
is bigger:
> > Total bounding box for atom centers: 66.862 70.736 72.736
> > Total bounding box for atom centers: 66.462 63.736 66.736
Bill
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Received on Thu May 26 2011 - 08:30:04 PDT
