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. Author manuscript; available in PMC: 2019 Nov 6.
Published in final edited form as: J Chem Theory Comput. 2019 Sep 17;15(10):5543–5562. doi: 10.1021/acs.jctc.9b00401

Figure 4:

Figure 4:

The solvation free energy mean unsigned errors of the MM→QM transformations using different analysis methods and MM′ intermediate Hamiltonian states. See Supporting Information for corresponding plot of mean signed errors.