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. 2014 Nov 26;118(51):14827–14832. doi: 10.1021/jp511702w

Table 1. Composition of the Molecular Dynamics Systemsa.

system lipid cation anion bulk salt concentration
1 48 POPC 10 Na+ 10 Cl 0.060 M
2 48 POPC 20 Na+ 20 Cl 0.126 M
3 48 POPC 40 Na+ 40 Cl 0.268 M
4 48 POPC 10 K+ 10 Cl 0.060 M
5 48 POPC 20 K+ 20 Cl 0.134 M
6 48 POPC 40 K+ 40 Cl 0.275 M
7 48 POPS 68 Na+ 20 Cl 0.170 M
8 48 POPS 68 K+ 20 Cl 0.169 M
a

POPC, 1-palmitoyl-2-oleoylphosphatidylcholine; POPS, 1-palmitoyl-2-oleoylphosphatidylserine. The bulk salt concentration is the averaged salt (NaCl, KCl) concentration at |z| = 60 Å (z, the perpendicular distance to the bilayer center, is defined in Figure S1 of the SI) over the converged portion of the MD trajectories.