Trajectory 963

Order parameters quality = 0.6397

Computational methods Simulation metadata
System POPC bilayer simulated with Amber Lipid21 and OPC water at 298 K
Author(s) Emilie Fjeldberg Taule, emilie.taule@uib.no
Date 2026-10-14
DOI 10.5281/zenodo.23209176
Publication N/A
Force field Lipid21
Simulation length (ps) 160010
Trajectory size 563193308
Pre-equilibration time 40
Time left out 0
Temperature (K) 298
Number of particles 9996
Software gromacs
Ions N/A
Water OPC
Lipids - L1 POPC (17)
Lipids - L2 POPC (17)
Files View on GitHub main
 Link to simulation files
Hover over a component to view composition data.
Upper leaflet
Lower leaflet

Lipids


POPC
  • Quality total: 0.6397
  • Quality headgroups: 0.6565
  • Quality tails: 0.63125
Download Mapping File main

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 300 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 : 0.6397
OP Quality of headgroups: 0.6565
OP Quality of tails: 0.6313
FF Quality: 0.0872

Bilayer thickness : 4.3 nm
Area per lipid : 62.9 Å2