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. Author manuscript; available in PMC: 2022 May 20.
Published in final edited form as: J Phys Chem B. 2021 May 11;125(19):5022–5034. doi: 10.1021/acs.jpcb.1c02081

Figure 3.

Figure 3.

Selection of number of macrostate based on cluster RMSD. A) Heatmap of RMSD within each state. B) Violin plot of RMSD values within states (blue) and inter states (orange).