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. 2015 Aug 7;11(9):4377–4394. doi: 10.1021/acs.jctc.5b00405

Figure 8.

Figure 8

Typical blocking curves for the potential energy of the bound state for a K-ClTemp simulation (top) and a βCD-HexTemp simulation (bottom). Error bars are an estimate of the uncertainty in the SEM; see Flyvbjerg et al.40 for further details. The SEM predicted by the statistical inefficiency method (StIn) is indicated with a red line.