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. Author manuscript; available in PMC: 2011 Mar 1.
Published in final edited form as: J Comput Chem. 2010 Mar;31(4):691–706. doi: 10.1002/jcc.21357

Figure 4.

Figure 4

Correlation between accuracy and size/charge for the spherical cutoff, HCP and PME methods. Accuracy, as measured by relative force error, is plotted as a function of (a) molecular size as measured by the number of atoms, and (b) absolute molecular charge. The HCP uses a 1-charge approximation with group threshold h1 = 10 Å. The PME and spherical cutoff methods use a 10 Å cutoff distance. The correlations are computed using the group level (level 1) approximation for the 595 subunits out of the 600 biomolecular structures in our sample set.