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. Author manuscript; available in PMC: 2024 Jul 11.
Published before final editing as: J Chem Theory Comput. 2023 Jan 11:10.1021/acs.jctc.2c00697. doi: 10.1021/acs.jctc.2c00697

Figure 6:

Figure 6:

The V111 χ1 histogram distributions (from 2500 snapshots and with 45 bins between −180° and 180°, the y-axis is the histogram count) real states from XX and XB ACES simulations.