Trajectory 833

Order parameters quality = 0.2948

Computational methods Simulation metadata
System POPCandTIP3P
Author(s) Hoelfich, Jullianne
Date 29/04/2025
DOI 10.5281/zenodo.15002801
Publication N/A
Force field FF-development
Simulation length (ps) 338800
Trajectory size 414960964
Pre-equilibration time 100
Time left out 50
Temperature (K) 300
Number of particles 32512
Software gromacs
Ions N/A
Water TIP3P
Lipids - L1 POPC (128)
Lipids - L2 N/A
Files View on GitHub main
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 Link to simulation files
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Upper leaflet
Lower leaflet

Lipids


POPC
  • Quality total: 0.2948
  • Quality headgroups: 0.5299
  • Quality tails: 0.17725
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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

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 : 0.2948
OP Quality of headgroups: 0.5299
OP Quality of tails: 0.1772
FF Quality: 1.645

Bilayer thickness : 3.6 nm
Area per lipid : 76.3 Å2