TABLE 2.

Summary of MD simulations of pore6-NaCl bilayer systems

System*	Tsim† (ns)	Tpore‡ (ns)	ΔV§ (V)	Na+ leaked	Cl− leaked	Nwater¶	Rpore‖ (nm)
1	150 (10)	0.5 (1.2)	2.85(2.49)	5 (1)	0 (3)	88Na (79Na)	0.94 (0.89)
2	10 (10)	0.7 (0.45)	2.77 (3.54)	2 (2)	2 (2)	59Na (63Cl)	0.77 (0.79)
3	13 (10)	6.3 (2.6)	2.22 (2.28)	1 (1)	3 (3)	57Na (71Cl)	0.76 (0.84)
4	10 (10)	1.3 (0.25)	2.58 (3.57)	2 (1)	2 (3)	60Na (31Na)	0.78 (0.56)
5	10 (10)	0.2 (0.75)	3.10 (2.64)	3 (1)	3 (3)	88Cl (53Cl)	0.94 (0.73)
6	13 (10)	5.6 (0.8)	2.61 (2.61)	3 (2)	2 (3)	106Na (81Na)	1.03 (0.90)
7	10 (10)	1.0 (1.75)	2.38 (2.75)	0 (2)	3 (2)	82Cl (44Na)	0.91 (0.66)
8	10 (10)	1.4 (3.0)	2.12 (1.97)	2 (3)	2 (1)	54Na (20Na)	0.74 (0.45)
9	10 (10)	1.7 (0.35)	1.97 (2.96)	1 (4)	3 (1)	44Na (50Cl)	0.66 (0.71)
10	15 (10)	6.9 (1.2)	2.34 (2.21)	2 (2)	2 (2)	75Cl (16Na)	0.87 (0.40)
11**	10	1.0	2.68	2	2	77Na	0.88
12**	10	3.1	2.85	1	3	74Cl	0.86

^*Shown in parentheses are data for simulations with Charmm parameters for ions.

^†Total time of a simulation run.

^‡Time before pore formation.

^§Transmembrane potential induced by an ionic charge imbalance before pore formation.

^¶Corresponds to the leakage of the first ion, the type of the first leaked ions being indicated as a superscript.

^‖Corresponding radius of the inner part of a water pore assuming an ideal cylindrical shape.

^**Simulation run at T = 310 K.