Table 1.

NLPB analysis of all-atom DNA: coulombic free energy and salt ion association per charge of short and long ds and ss oligomers^a

(A) Short ds and ss DNA oligomers
	Eqn (1a) $G_{\mathrm{u}}^{\text{coul}}=G_{\mathrm{u},0}+{\mathcal{G}}_1\mid Z_{\mathrm{D}}\mid$		Eqn (1b) $n_{\mathrm{u}}^{\text{coul}}=n_{\mathrm{u},0}+{\mathcal{I}}_1\mid Z_{\mathrm{D}}\mid$
DNA	Gu,0/RT	${\mathcal{G}}_1∕\mathit{RT}$	n u,0	${\mathcal{I}}_1$
ss1	0.801	0.0437	0.125	0.0198
ss2	0.764	0.0455	0.114	0.0209
ds	0.806	0.0506	0.115	0.0213
Averageb	0.790	0.0466	0.118	0.0207
(B) Long ds and ss DNA oligomers
	Eqn (2a) $G_{\mathrm{u}}^{\text{coul}}=G_{\mathrm{u},\infty }-2g∕\mid Z_{\mathrm{D}}\mid$		Eqn (2b) $n_{\mathrm{u}}^{\text{coul}}=n_{\mathrm{u},\infty }-2\gamma ∕\mid Z_{\mathrm{D}}\mid$
DNA	Gu,∞/RT	2g/RT	n u,∞	2γ
ss1	1.268	1.407	0.400	0.939
ss2	1.271	1.323	0.399	0.924
ds	1.819	5.015	0.590	2.576

^aError estimation for coefficients of Table 1 is performed as described in Methods. Error for G_u,∞/RT and n_u,∞ is the smallest and does not exceed 2%. Error for g and γ is between 3 and 5%. Short oligomer coefficients have larger error: 2 to 6% for linear coefficients G_u,0/RT and n_u,0, and 10% for quadratic coefficients ${\mathcal{G}}_1$ and ${\mathcal{I}}_1$.

^bSince short oligo coefficients are expected to be independent on DNA type, the average number is assumed to apply to ss and ds oligomer