Interfacing Q-Chem and CHARMM to Perform QM/MM Reaction Path Calculations. H. Lee Woodcock III, Milan Hodoscek, Andrew T.B. Gilbert, Peter M.W. Gill, Henry F. Schaefer III, and Bernard R. Brooks. J. Comp. Chem. 28, 1485, 2007.
For additional information please contact Dr. H. Lee Woodcock (hlwood@nih.gov)