Trajectory 528

Order parameters quality = N/A

Computational methods Simulation metadata
System 110POPC_22POPS_22SOD_4620SOL_298K_v1
Author(s) Thomas Piggot
Date 04/10/2021
DOI 10.5281/zenodo.1182665
Publication N/A
Force field CHARMM36
Simulation length (ps) 100050
Trajectory size 233712644
Pre-equilibration time 400
Time left out 0
Temperature (K) 298
Number of particles 31416
Software gromacs
Ions SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22)
Water TIP3
Lipids - L1 POPS:POPC (11:55)
Lipids - L2 POPS:POPC (11:55)
Files View on GitHub main
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 Link to simulation files
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Lower leaflet

Lipids


POPS
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main

Related experiments:

Article DOI Internal ID Type Temperature Actions

Order Parameters POPS

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters POPC

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Area per lipid

Form Factor

Experimental and Molecular Dynamics based descriptors

Quality of Order Parameters : N/A
OP Quality of headgroups: N/A
OP Quality of tails: N/A
FF Quality: N/A

Bilayer thickness : 4.3 nm
Area per lipid : 62.4 Å2