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. Author manuscript; available in PMC: 2017 Oct 20.
Published in final edited form as: J Chem Theory Comput. 2016 Nov 7;12(12):5946–5959. doi: 10.1021/acs.jctc.6b00712

Figure 8.

Figure 8

Accuracy ((a) and (b)) and speed (c) of GB-HCPO compared to cutoff-GB and GB-HCP, where standard GB (without cutoffs) is used as reference. Accuracy is computed as relative error in electrostatic solvation energy (a) and relative RMS error in electrostatic force (b). A logarithmic scale is used to better demonstrate distribution of errors in both energy and force over the broad range of test structure sizes. Threshold and cutoff distances used for the different structures are listed in Table 1. Connecting lines are shown to guide the eye.