Partial Charge of Oxygen in a Methoxy Group
wang at gpu.srv.ualberta.ca
Wed Aug 2 13:57:55 EST 2000
We are trying to minimize the energy of a small organic molecule containing a methoxy group attached to an aromatic ring using the
CHARMM force field. However, there doesn't seem to be a type defined for the oxygen involved in the methoxy group. We want to
construct a type ourselves but have no clue what the partial charge should be on such an oxygen. Does anybody out there have any
clue? All responses are appreciated.
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