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. 2013 Jul 26;9(9):3866–3871. doi: 10.1021/ct400492e

Table 1. Lipid Systems Studied by MD Simulationsa.

  DOPC/DPPC/CHOL DOPC/DPPC/CHOL DOPC/DSPC/CHOL DOPC/DSPC/CHOL
  Ld Lo Ld Lo
  0.66:0.19:0.15 0.12:0.58:0.3 0.74:0.09:0.17 0.12:0.56:0.32
  T = 15 °C T = 15 °C T = 22 °C T = 22 °C
ALL-ATOM (AA) NT = 400 NT = 400 NT = 400 NT = 400
t = 60 ns t = 60 ns t = 60 ns t = 60 ns
Martini Small (MS) NT = 512 NT = 512 NT = 512 NT = 512
t = 16 μs t = 16 μs t = 16 μs t = 18 μs
Martini Large (ML) NT = 2048 NT = 2048 NT = 2048 NT = 2048
t = 6 μs t = 6 μs t = 6 μs t = 6 μs
a

T, simulation temperature; NT, number of lipids in the simulation; t, trajectory durations (neglecting initial equilibration phases) used for the analysis.