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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

Table 2.

Root-mean-squared relative deviations in P3M reaction field forces on DNA 420D with absolute values greater than 1 kcal/mol-Å for the P3M strategy with different cutoff (in grid spacing) compared to the charge view method. Both grid spacing of 0.25 Å and grid spacing of 0.50 Å are computed. Polarization charges are mapped onto the atomic surface.

Cutoff RMSrD force components (0.50 Å) RMSrD force components (0.25 Å)
6 2.7×10−3 1.1×10−3
8 1.3×10−3 5.6×10−4
10 9.4×10−4 4.3×10−4
12 6.2×10−4 3.2×10−4
14 4.4×10−4 2.4×10−4
16 3.4×10−4 1.9×10−4