Table 1. Summary of parameters used to describe interactions between ions and charged particles.

See text section ‘Coarse-grained explicit ion model’ for definitions of various parameters.

Coarse-grained pair	${\displaystyle ϵ}$(kcal/mol)	${\displaystyle \sigma }$(Å)	${\displaystyle {\displaystyle r_{mϵ}}}$(Å)	${\displaystyle {\displaystyle {\sigma }_{ϵ}}}$(Å)	${\displaystyle {\mathrm{H}}_1}$(kcal/mol)	${\displaystyle {\displaystyle r_{mh1}}}$(Å)	${\displaystyle {\displaystyle {\sigma }_{h1}}}$(Å)	${\displaystyle {\mathrm{H}}_2}$(kcal/mol)	${\displaystyle {\displaystyle r_{mh2}}}$(Å)	${\displaystyle {\displaystyle {\sigma }_{h2}}}$(Å)
P-P	0.18379	6.86	6.86	0.5	–	–	–	–	–	–
Na+-P	0.02510	4.14	3.44	1.25	3.15488	4.1	0.57	0.47801	6.5	0.4
Na+-AA+*	0.239	4.065	3.44	1.25	3.15488	4.1	0.57	–	–	–
Na+-AA−†	0.239	4.065	3.44	1.25	3.15488	4.1	0.57	0.47801	6.5	0.4
Mg2+-P	0.1195	4.87	3.75	1.0	1.29063	6.1	0.5	0.97992	8.3	1.2
Mg2+-AA+	0.239	3.556	3.75	1.0	1.29063	6.1	0.5	–	–	–
Mg2+-AA−	0.239	3.556	3.75	1.0	1.29063	6.1	0.5	0.97992	8.3	1.2
Cl−-P	0.08121	5.5425	4.2	0.5	0.83652	6.7	1.5	–	–	–
Cl−-AA+	0.239	4.8725	4.2	0.5	0.83652	6.7	1.5	0.47801	5.6	0.4
Cl−-AA−	0.239	4.8725	4.2	0.5	0.83652	6.7	1.5	–	–	–
Na+-Na+	0.01121	2.43	2.7	0.57	0.17925	5.8	0.57	–	–	–
Na+-Mg2+	0.04971	2.37	2.37	0.5	–	–	–	–	–	–
Na+-Cl−	0.08387	3.1352	3.9	2.06	5.49713	3.3	0.57	0.47801	5.6	0.4
Mg2+-Mg2+	0.89460	1.412	1.412	0.5	–	–	–	–	–	–
Mg2+-Cl−	0.49737	4.74	4.48	0.57	1.09943	5.48	0.44	0.05975	8.16	0.35
Cl−-Cl−	0.03585	4.045	4.2	0.56	0.23901	6.2	0.5	–	–	–

^*Positive amino acids.

^†Negative amino acids.