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. 2013 May 7;117(21):6466–6472. doi: 10.1021/jp311418q

Figure 5.

Figure 5

Dependence of calculated entropy on the number of data points. All entropy values are given in arbitrary units (AU). Starting from a representative test set from our simulations, we select random points, retaining approximately 0.5, 1, 5, 10 and 50% of the original 94500 data points. We observe a significant deviation from the expected sine-like distribution only at the 0.5% level.