> In general, what is the important of hybridization of
> atoms in AMBER forcefield?
Leap uses its notion of hybridization to match torsions I
believe, otherwise there is no influence.
Ideally hybridization would be specified in the MASS section, but
as it is it's done in a different way from other parameters.
Bill
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Received on Sun May 16 2010 - 12:30:03 PDT
