. Author manuscript; available in PMC: 2010 Mar 12.

Published in final edited form as: J Phys Chem A. 2009 Mar 12;113(10):2109–2116. doi: 10.1021/jp808952m

Table 4.

CPU Time (seconds) Spent on Matrix Inversion, One Self-Consistent-Field Iteration, and Fully Converged Induction Using the Coupled Polarization-matrix Inversion and Iteration (CPII) Method and the Direct Iteration Approach. Long-range Electrostatic Effects Both from the Permanent Partial Charges and the Induced Dipole Moments Are Treated by the Particle-mesh Ewald Method.

system	CPII			Direct iteration
system	Matrix Inv.	1 iter.	Total	1 iter.	Total
Water (4096 monomers)	0.040	0.966	9.700	0.966	11.59
NMA (2048 monomers)	0.389	2.198	28.96	2.138	29.93