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. Author manuscript; available in PMC: 2015 Aug 1.

Published in final edited form as: Biopolymers. 2014 Aug;101(8):834–848. doi: 10.1002/bip.22461

Table 3.

Selected APBS results for monovalent and divalent salt

Monovalent								Divalent
r_solv=1.4 Å, ε_sol=2, ε_solv=78.4		r_Ion=1.5 Å, ε_sol=2, ε_solv=78.4		r_Ion=1.5 Å, r_solv=1.4 Å, ε_solv=78.4		r_Ion=1.5 Å, r_solv=1.4 Å, ε_sol=2		r_solv=1.4 Å, ε_sol=2, ε_solv=78.4
r_Ion (Å)	N_cat^a	r_solv (Å)	N_cat^a	ε_sol	N_cat^a	ε_solv	N_cat^a	r_Ion (Å)	N_cat^a
0.5	12.4	0.0	10.4	2	10.4	70	11.0	0.5	9.8
1.0	11.4	0.5	10.4	4	10.4	74	10.7	1.0	9.1
1.5	10.4	1.0	10.4	8	10.3	78	10.4	1.5	8.5
2.0	9.2	1.5	10.4	10	10.3	82	10.1	2.0	7.7

^a

N_cat is the predicted number of cations within 10 Å of the C1′ atoms