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. Author manuscript; available in PMC: 2017 Dec 13.
Published in final edited form as: J Chem Theory Comput. 2017 Jun 7;13(7):3378–3387. doi: 10.1021/acs.jctc.7b00336

Figure 4.

Figure 4

Comparison between PB solvers on GPU (Jacobi with CUSP library and DIA matrix format) and on CPU (ICCG) with PBC for the protein test set, as functions of number of atoms and grids respectively. The convergence criterion was set to 10−3 (a), (b) and 10−6 (c), (d).