Trajectory 922

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC:SSM(sphingomyelin):CHOL(1:1:1)
Author(s) franci.merzel@ki.si
Date 29/08/2026
DOI 10.5281/zenodo.21937938
Publication 10.1038/s41467-025-58334-z
Force field Charmm36
Simulation length (ps) 0.23955224037812
Trajectory size 10673709396
Pre-equilibration time 100
Time left out 0
Temperature (K) 303.15
Number of particles 181519
Software NAMD
Ions SOD(77), CLA(77)
Water TIP3
Lipids - L1 POPC:SM18:CHOL (138:138:138)
Lipids - L2 POPC:SM18:CHOL (138:138:138)
Files View on GitHub main
 Link to simulation files
Hover over a component to view composition data.
Upper leaflet
Lower leaflet

Lipids


CHOL
  • 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
SM18
  • 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 CHOL

Download JSON main

Group tail

Order Parameters POPC

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters SM18

Download JSON main

Group fa

Group headgroup

Group sphingosine

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 : 5.1 nm
Area per lipid : 42.4 Å2