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. 2021 Jan 26;61(2):938–949. doi: 10.1021/acs.jcim.0c01299

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]
a

Water/lipid molar ratio.

b

Number of lipid molecules.

c

Number of water molecules.

d

Simulation temperature.

e

Trajectory length used for analysis.

f

Reference for the openly available simulation files.

g

1,2-Dilauroyl-sn-glycero-3-phosphocholine.