> Following my previous question, why are some of the coefficients 0 ?
> If every atom has an epsilon and sigma associated with it and if we
> follow the Lorentz/Berthelot mixing rules, why would the combined
> epsilon and sigma of any two atoms be 0?
Not every atom has a vdw term; for example, in the TIP3P water model there
is no vdw on the hydrogen atoms.
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Received on Wed Aug 31 2005 - 19:53:03 PDT
