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. Author manuscript; available in PMC: 2011 Mar 1.
Published in final edited form as: J Comput Chem. 2010 Sep 15;32(4):756–770. doi: 10.1002/jcc.21646

Table 2.

Iteration time for different combinations of KS solvers and preconditioners

Protein
 BiCG
 GMRES
ID atom BJAC ILU JAC BJAC ILU JAC
1ajj 519 0.24 0.24 0.26 0.23 0.23 0.38
1vjw 828 0.29 0.29 0.35 0.26 0.26 0.44
1a2s 1272 0.56 0.56 0.51 0.57 0.56 0.84
1a7m 2809 1.69 1.67 1.77 1.93 1.91 2.85
1f6w 8243 3.90 3.88 4.48 4.70 4.65 7.19