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. Author manuscript; available in PMC: 2011 Aug 10.
Published in final edited form as: J Chem Theory Comput. 2010 Aug 10;6(8):2411–2423. doi: 10.1021/ct900689m

Figure 1.

Figure 1

A schematic illustration of a poor choice of collective variables. The horizontal axis is collective variables, and the vertical axis is unrepresented degrees of freedom. The collective variables fail to indicate the progress of the reaction.