Trajectory 830

Order parameters quality = 0.717

Computational methods Simulation metadata
System POPC_hybrid_c36mdp
Author(s) Eerika Jokinen, Maisa Vuorte, Matti Javanainen
Date 08/04/2025
DOI 10.5281/zenodo.15172176
Publication N/A
Force field C36_Slipids_Hybrid
Simulation length (ps) 500100
Trajectory size 673291444
Pre-equilibration time 0
Time left out 100
Temperature (K) 298
Number of particles 36352
Software gromacs
Ions N/A
Water SOL
Lipids - L1 POPC (128)
Lipids - L2 N/A
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Upper leaflet
Lower leaflet

Lipids


POPC
  • Quality total: 0.717
  • Quality headgroups: 0.6615
  • Quality tails: 0.74475
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Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1021/acs.jctc.3c00648 10.1021/acs.jctc.3c00648/1 FF 300 View
10.1039/c2cp42738a 10.1039/c2cp42738a/1 OP 298 View
10.1021/acs.jpcb.4c04719 10.1021/acs.jpcb.4c04719/4 OP 298 View

Order Parameters POPC

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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 : 0.717
OP Quality of headgroups: 0.6615
OP Quality of tails: 0.7448
FF Quality: 0.755

Bilayer thickness : 4.2 nm
Area per lipid : 66.7 Å2