Trajectory 883

Order parameters quality = N/A

Computational methods Simulation metadata
System POPG-POPE 3:1 Bilayer Simulation
Author(s) Antonio Peon
Date 17/02/2026
DOI 10.5281/zenodo.2579675
Publication N/A
Force field Slipids
Simulation length (ps) 100010
Trajectory size 5195065276
Pre-equilibration time 400
Time left out 0
Temperature (K) 310
Number of particles 138720
Software gromacs
Ions SOD(423), CLA(49), SOD(423), CLA(49), SOD(423), CLA(49), SOD(423), CLA(49), SOD(423), CLA(49), SOD(423), CLA(49), SOD(423), CLA(49), SOD(423), CLA(49), SOD(423), CLA(49), SOD(423), CLA(49), SOD(423), CLA(49), SOD(423), CLA(49), SOD(423), CLA(49), SOD(423), CLA(49), SOD(423), CLA(49), SOD(423), CLA(49), SOD(423), CLA(49)
Water SOL
Lipids - L1 POPG:POPE (187:63)
Lipids - L2 POPG:POPE (187:63)
Files View on GitHub main
 Download PDB File
 Link to simulation files
Hover over a component to view composition data.
Upper leaflet
Lower leaflet

Lipids


POPE
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPG
  • 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 POPE

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters POPG

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 : N/A
OP Quality of headgroups: N/A
OP Quality of tails: N/A
FF Quality: N/A

Bilayer thickness : 3.8 nm
Area per lipid : 66.2 Å2