Trajectory 851

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC:Gb3_run2(95:5 mol:mol)
Author(s) Alexander Vogel (alexander.vogel@medizin.uni-leipzig.de), Daniel B. Werz (daniel.werz@chemie.uni-freiburg.de)
Date 09/12/2025
DOI 10.5281/zenodo.10635875
Publication N/A
Force field CHARMM36m
Simulation length (ps) 7250000
Trajectory size 1988933344
Pre-equilibration time 0
Time left out 1000
Temperature (K) 310
Number of particles 74381
Software gromacs
Ions SOD(27), CLA(27)
Water TIP3
Lipids - L1 POPC:GB3 (95:5)
Lipids - L2 POPC:GB3 (95:5)
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


POPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
GB3
  • 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 POPC

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters GB3

Download JSON main

Group sn-1

Group sn-2

Group backbone

Group headgroup

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 : 4.3 nm
Area per lipid : 63.8 Å2