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. Author manuscript; available in PMC: 2016 Nov 18.
Published in final edited form as: J Phys Chem B. 2016 May 20;120(33):8707–8721. doi: 10.1021/acs.jpcb.6b04439

Figure 7. Self-convergence of reaction field forces (kcal/mol-Å).

Figure 7

The AT base dimer was modeled with the full PBE. (epsout=80.0, epsin=4.0, istrng=1000). Left: field-view method. Center: charge-view method. Right: P3M method. The polarization charges are mapped onto the molecular surface. See Table 4 for correlation analyses.