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. Author manuscript; available in PMC: 2017 Aug 3.
Published in final edited form as: J Chem Theory Comput. 2017 May 17;13(6):2418–2429. doi: 10.1021/acs.jctc.7b00059

Figure 6.

Figure 6

Lowest observed reduced χfree2 goodness-of-fit (blue) and the corresponding AIC value (green) for each basis subset size in the non-native K63 aMD model. Although the χfree2 value of a 3-state ensemble is a modest improvement over the 2-state model, the increased AIC value suggests that this is a result of increased overfitting by the 3-state case.