Table 3 Details of the simulated systems.
System | KR2 + Kr | MAR + Kr | tmBR + Kr | tmBR + Ar |
|---|---|---|---|---|
Lipid type and number | 125 DPPC | 90 DLPC | 103 DPPC | 103 DPPC |
Simulation box size, Å | 69.3 × 69.3 × 128.4 | 62.2 × 62.2 × 99.9 | 65.3 × 65.3 × 103.3 | 65.3 × 65.3 × 103.3 |
Number of noble gas atoms | 240 Kr | 126 Kr | 140 Kr | 140 Ar |
Total number of atoms | 60211 | 34382 | 40720 | 40720 |
Probability density map sampling box size, Å | 58 × 43 × 78 | 55 × 45 × 62 | 54 × 45 × 65 | 53 × 42 × 64 |
Probability density map sampling interval, Å | 0.5 | 0.5 | 0.5 | 0.5 |
Map mean value, atoms/(0.5 Å)3 | 0.00047 | 0.00046 | 0.00047 | 0.00043 |
Map standard deviation value, atoms/(0.5 Å)3 | 0.00094 | 0.00095 | 0.00087 | 0.00078 |
