> I had the type defined in frcmod (as well as all
> related parameters). Is this equivalent to issuing addAtomTypes command?
No. Ideally the amber parm/frcmod format would include
hybridization, but since it doesn't, the info is given
by means of addAtomTypes.
Bill
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Received on Mon Apr 19 2004 - 18:53:01 PDT
