Table 3. Analyzed Open-Access MD Trajectories of PC Lipid Bilayers under Varying Hydration Level.
force field lipid/water | lipid | nw/la | Nlb | Nwc | Td (K) | tanale (ns) | filesf |
---|---|---|---|---|---|---|---|
Berger-POPC-0747/SPC48 | POPC | 40 | 256 | 10,240 | 300 | 300 | [49] |
POPC | 7 | 128 | 896 | 298 | 60 | [72] | |
Berger-DLPC-1373/SPC-E61 | DLPCg | 24 | 72 | 1728 | 300 | 80 | [74] |
DLPCg | 16 | 72 | 1152 | 300 | 80 | [75] | |
DLPCg | 12 | 72 | 864 | 300 | 80 | [76] | |
DLPCg | 4 | 72 | 288 | 300 | 80 | [77] | |
CHARMM3650/TIP3P51 | POPC | 40 | 128 | 5120 | 303 | 140 | [78] |
POPC | 34 | 256 | 8704 | 300 | 500 | [55] | |
POPC | 31 | 72 | 2232 | 303 | 20 | [79] | |
POPC | 15 | 72 | 1080 | 303 | 20 | [80] | |
POPC | 7 | 72 | 504 | 303 | 20 | [81] | |
MacRog53/TIP3P54 | POPC | 50 | 288 | 14,400 | 310 | 40 | [82] |
POPC | 25 | 288 | 7200 | 310 | 50 | [82] | |
POPC | 15 | 288 | 4320 | 310 | 50 | [82] | |
POPC | 10 | 288 | 2880 | 310 | 50 | [82] | |
POPC | 5 | 288 | 1440 | 310 | 50 | [82] |
Water/lipid molar ratio.
Number of lipid molecules.
Number of water molecules.
Simulation temperature.
Trajectory length used for analysis.
Reference for the openly available simulation files.
1,2-Dilauroyl-sn-glycero-3-phosphocholine.