Trajectory 430

Order parameters quality = 0.444

Computational methods Simulation metadata
System POPE_310K
Author(s) Javanainen, Matti
Date 01/10/2021
DOI 10.5281/zenodo.2641987
Publication N/A
Force field CHARMM36
Simulation length (ps) 500100
Trajectory size 654088256
Pre-equilibration time 0
Time left out 50
Temperature (K) 310
Number of particles 35280
Software gromacs
Ions N/A
Water TIP3
Lipids - L1 POPE (72)
Lipids - L2 POPE (72)
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: 0.444
  • Quality headgroups: 0.5386
  • Quality tails: 0.3967
Download Mapping File main

Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1021/jp511159q 10.1021/jp511159q/1 FF 308 View
unpublished/ferreiraPOPE unpublished/ferreiraPOPE/1 OP 310 View
10.1021/jacs.1c05549 10.1021/jacs.1c05549/2 OP 310 View

Order Parameters POPE

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 : 0.444
OP Quality of headgroups: 0.5386
OP Quality of tails: 0.3967
FF Quality: 1.3

Bilayer thickness : 4.5 nm
Area per lipid : 57.2 Å2