> I am curious to know which method is used to determine the partial charge
> carried by atoms in the ff99 and glycam06 force fields? Are they Mulliken
> charges?
There are papers describing the derivation of each ff, including
charge derivation. References should not be hard to find.
> I wonder where can I find those partial charges?
They are in the residue templates, I believe with .lib or .off extensions.
In leap, 'desc <resname>' may show them.
Bill
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Received on Thu Oct 01 2009 - 14:30:02 PDT
