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. Author manuscript; available in PMC: 2012 Apr 12.
Published in final edited form as: J Chem Theory Comput. 2011 Apr 12;7(4):1208–1219. doi: 10.1021/ct100738h

Figure 3.

Figure 3

ΔG as a function of window for (A) the OH move of methanol and (B) the alanine dipeptide moving from the CHARMM22 to AMBER99SB force fields. In both cases the free energy curve is smooth, representing a gradual shift from one force field or structure to another.