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. Author manuscript; available in PMC: 2014 Jun 11.

Published in final edited form as: J Chem Theory Comput. 2013 May 8;9(6):2733–2748. doi: 10.1021/ct400146w

Table 8.

Final optimized CM parameters sets for the different water models.

	TIP3P		SPC/E		TIP4P_EW
	R_min/2(Å)	ε(kcal/mol)	R_min/2(Å)	ε(kcal/mol)	R_min/2(Å)	ε(kcal/mol)
Be²⁺	0.956	0.00000395	0.961	0.00000460	0.918	0.00000116
Cu²⁺	1.218	0.00148497	1.223	0.00160860	1.195	0.00101467
Ni²⁺	1.255	0.00262320	1.253	0.00254709	1.221	0.00155814
Pt²⁺	1.266	0.00307642	1.272	0.00334975	1.251	0.00247282
Zn²⁺	1.271	0.00330286	1.276	0.00354287	1.252	0.00250973
Co²⁺	1.299	0.00483892	1.305	0.00523385	1.288	0.00417787
Pd²⁺	1.303	0.00509941	1.305	0.00523385	1.288	0.00417787
Ag²⁺	1.336	0.00770969	1.337	0.00780282	1.323	0.00657749
Cr²⁺	1.346	0.00868178	1.348	0.00888732	1.333	0.00743559
Fe²⁺	1.353	0.00941798	1.354	0.00952704	1.343	0.00838052
Mg²⁺	1.360	0.01020237	1.360	0.01020237	1.353	0.00941798
V²⁺	1.364	0.01067299	1.365	0.01079325	1.353	0.00941798
Mn²⁺/Hg²⁺	1.407	0.01686710	1.406	0.01669760	1.401	0.01586934
Cd²⁺	1.412	0.01773416	1.412	0.01773416	1.406	0.01669760
Yb²⁺	1.642	0.10185975	1.634	0.09731901	1.654	0.10888937
Ca²⁺	1.649	0.10592870	1.635	0.09788018	1.657	0.11068733
Sn²⁺	1.666	0.11617738	1.651	0.10710756	1.670	0.11866330
Pb²⁺	1.745	0.17018074	1.731	0.15989650	1.758	0.17997960
Eu²⁺	1.802	0.21475916	1.786	0.20184160	1.823	0.23213110
Sr²⁺	1.810	0.22132374	1.794	0.20826406	1.827	0.23548950
Sm²⁺	1.819	0.22878796	1.800	0.21312875	1.838	0.24480038
Ba²⁺/Ra²⁺	2.019	0.40664608	1.980	0.37126402	2.050	0.43454345