Table 2. Outcome of all 48 simulations (200 ns each) of the antiparallel d[AGGGTTAGGGT] hairpin.

Groove width	s/a pattern				Water and ionic parametersa
	5′-asa–-sas-3′	5′-saa—ssa-3′	5′-ssa—saa-3′	5′-sas—asa-3′
Narrow		P: 2,3 tW; 1 O	P: 2,3 tW; G*	P: 1,2,3 tW	TIP3P	NaCl	J&C
		P: 1,2,3 tW	P: 1,2,3 tW	P: 1,2,3 tW; G*	TIP3P	KCl	J&C
		P: 2,3 tW	P: 1,2,3 tW	P: G; 1 O	TIP3P	NaCl	Aq.
					SPC/E	NaCl	J&C
		P: 2,3 tW			SPC/E	KCl	Aq.
		P: 1,2,3 tW		P: G; 1 O	SPC/E	KCl	Dang
Wide	U: 1,2 tW		P: 1,2,3 tW	U: S5*; 1,2,3 O	TIP3P	NaCl	J&C
	U: S5	P: S5		U: 1,2,3 O	TIP3P	KCl	J&C
	3 O	P: 1,2,3 tW	U: S5	P: S5	TIP3P	NaCl	Aq.
	3 O			U: S5	SPC/E	NaCl	J&C
	U: S5		P: S5	P: 1 O	SPC/E	KCl	Aq.
	U: 1,2,3 O		P: S5	P: 1,2 O	SPC/E	KCl	Dang

Length of the simulations is 200 ns. See the legend of the Table 1 for further details.

^aJ&C: TIP3P-adapted or SPC/E-adapted Joung & Cheatham parameters; Aq: Amber-adapted Aquist Na⁺ with Dang & Smith Cl⁻ parameters; Dang: Dang K⁺ with Dang & Smith Cl⁻ paremeters.