Table 4.

CM Parameter Set for 24 Divalent Metal Ions in Conjunction with the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models

	OPC3		OPC		TIP3P-FB		TIP4P-FB
	Rmin,M/2 (Å)	εM (kcal/mol)	Rmin,M/2 (Å)	εM (kcal/mol)	Rmin,M/2 (Å)	εM (kcal/mol)	Rmin,M/2 (Å)	εM (kcal/mol)
Be2+	0.971	0.00000621	0.921	0.00000128	0.963	0.00000489	0.924	0.00000142
Cu2+	1.228	0.00174080	1.178	0.00075490	1.223	0.00160860	1.181	0.00089969
Ni2+	1.251	0.00247282	1.197	0.00104974	1.257	0.00270120	1.213	0.00136949
Pt2+	1.272	0.00334975	1.219	0.00150903	1.274	0.00344520	1.229	0.00176831
Zn2+	1.280	0.00374505	1.219	0.00150903	1.276	0.00354287	1.234	0.00191142
Co2+	1.306	0.00530214	1.263	0.00294683	1.304	0.00516628	1.277	0.00359255
Pd2+	1.309	0.00551135	1.269	0.00321068	1.308	0.00544088	1.282	0.00384964
Ag2+	1.339	0.00799176	1.305	0.00523385	1.339	0.00799176	1.316	0.00602547
Cr2+	1.349	0.00899152	1.316	0.00602547	1.349	0.00899152	1.327	0.00691068
Fe2+	1.356	0.00974813	1.323	0.00657749	1.356	0.00974813	1.334	0.00752608
Mg2+	1.363	0.01055378	1.330	0.00716930	1.363	0.01055378	1.342	0.00828195
V2+	1.366	0.01091456	1.334	0.00752608	1.366	0.01091456	1.345	0.00858042
Mn2+	1.410	0.01738340	1.381	0.01286460	1.411	0.01755812	1.394	0.01476261
Hg2+	1.410	0.01738340	1.381	0.01286460	1.411	0.01755812	1.394	0.01476261
Cd2+	1.413	0.01791152	1.389	0.01400886	1.415	0.01827024	1.398	0.01538757
Yb2+	1.622	0.09072908	1.602	0.08034231	1.629	0.09454081	1.621	0.09019198
Ca2+	1.628	0.09399072	1.608	0.08337961	1.635	0.09788018	1.627	0.09344247
Sn2+	1.641	0.10128575	1.625	0.09235154	1.652	0.10769970	1.645	0.10359269
Pb2+	1.723	0.15415012	1.707	0.14295367	1.730	0.15917293	1.728	0.15773029
Eu2+	1.772	0.19078645	1.753	0.17618319	1.782	0.19865859	1.782	0.19865859
Sr2+	1.778	0.19549490	1.766	0.18612361	1.789	0.20424131	1.789	0.20424131
Sm2+	1.784	0.20024770	1.766	0.18612361	1.795	0.20907204	1.796	0.20988115
Ba2+	1.966	0.35853865	1.960	0.35308749	1.983	0.37399087	1.992	0.38216886
Ra2+	1.966	0.35853865	1.960	0.35308749	1.983	0.37399087	1.992	0.38216886