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. 2023 May 11;19(11):3251–3275. doi: 10.1021/acs.jctc.3c00039

Figure 8.

Figure 8

Box plots of the distribution of bond and angle RMSDs of each conformer for all the molecules in the OpenFF Industry Benchmark set. The edges of the boxes show the first and third quartiles and the whiskers are at 1.5× (interquartile range) away from the box edges. All bond RMSDs are less than 0.1 Å and all angle RMSDs are less than 11° using Sage 2.0.0.