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. Author manuscript; available in PMC: 2013 Jan 30.
Published in final edited form as: J Comput Chem. 2011 Nov 23;33(3):301–310. doi: 10.1002/jcc.21978

Figure 7.

Figure 7

The strain energy difference introduced by weighting factors. (A) 3CWK A300; (B) 1CBS A200 (1.6Å); (C) 2LBD A500 (1.8Å); (D) 2VE3 A1445 (2.06Å); (E) 2VE3 B1445 (2.1Å). Energies are from HF/6-31G(d) calculations using HF/6-31G(d) geometries.