Trajectory 43

Order parameters quality = 0.4675

Computational methods Simulation metadata
System 128POPC_6400SOL_300K_OPC3model
Author(s) Melcr, Josef
Date 10/03/2022
DOI 10.5281/zenodo.1118980
Publication N/A
Force field ECC-lipids
Simulation length (ps) 300000
Trajectory size 2018076352
Pre-equilibration time 0
Time left out 0
Temperature (K) 300
Number of particles 36352
Software gromacs
Ions N/A
Water SOL
Lipids - L1 POPC (64)
Lipids - L2 POPC (64)
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Upper leaflet
Lower leaflet

Lipids


POPC
  • Quality total: 0.4675
  • Quality headgroups: 0.649
  • Quality tails: 0.37675
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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 : 0.4675
OP Quality of headgroups: 0.649
OP Quality of tails: 0.3768
FF Quality: 0.755

Bilayer thickness : 4.2 nm
Area per lipid : 62.2 Å2