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. Author manuscript; available in PMC: 2013 Dec 5.
Published in final edited form as: J Comput Chem. 2012 Jul 23;33(31):2451–2468. doi: 10.1002/jcc.23067

Figure 3.

Figure 3

Dihedral PESs for OBTZ (right column) and OBTZ related acyclic model compound (left column). Solid line represents QM data and dashed line for MM data. Surfaces are in 3° increments for (e1), (f1), (e2) and (f2), 5° increments for (a2)–(d2) and (g2), and 10° increments for the others.