Table 3. Outcome of 48 simulations (200 ns each) of the antiparallel d[AGGGTTAGGGA] 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					TIP3P	NaCl	J&C
	3 O	U: 2,3 O	U: 3 O; 1,2,3 tW	U: 1,2,3 tW	TIP3P	KCl	J&C
	P: 1*,2,3tW; 3O*	U: 1,2,3 tW; G	1,2,3 tW*	U: 1,2,3 tW	TIP3P	NaCl	Aq.
	3 O				SPC/E	NaCl	J&C
	3 O	P: 2,3 O			SPC/E	KCl	Aq.
	3 O	P: 1,2,3 tW	2,3 tW*	U: See text	SPC/E	KCl	Dang
Wide	3 O	1,2,3 tW*	P: S3	U: 1 O	TIP3P	NaCl	J&C
	3 O	P: 1,2,3 tW		S3*; 1*,2*,3O	TIP3P	KCl	J&C
	U: 2,3 O	P: 1,2,3 tW	P: S3	P: S5	TIP3P	NaCl	Aq.
	3 O			P: 1,2 O	SPC/E	NaCl	J&C
	3 O		P: 3 O; S3*	P: 1 O	SPC/E	KCl	Aq.
	U: 3 O		U: S3	U: 1 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.