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. Author manuscript; available in PMC: 2019 Sep 17.
Published in final edited form as: J Chem Theory Comput. 2018 Mar 12;14(4):1853–1864. doi: 10.1021/acs.jctc.7b01226

Figure 7:

Figure 7:

Distribution anharmonicity of ΔV. (A), (B) and (C) indicate the results collected from alanine dipeptide, chignolin and HIV protease. Left column shows the results from conventional GaMD simulations, and right column shows the results of alanine dipeptide, chignolin and HIV protease from either force constant or threshold energy rex-GaMD simulations.