Trajectory 143

Order parameters quality = N/A

Computational methods Simulation metadata
System 500POPE_50SOD_50CLA_25000SOL_310K
Author(s) Peón, Antonio
Date 03/01/2022
DOI 10.5281/zenodo.4424934
Publication N/A
Force field Lipid17
Simulation length (ps) 100002
Trajectory size 25726369064
Pre-equilibration time 400
Time left out 0
Temperature (K) 310
Number of particles 137600
Software gromacs
Ions SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50)
Water WAT
Lipids - L1 POPE (250)
Lipids - L2 POPE (250)
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

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

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 : 4.6 nm
Area per lipid : 54.4 Å2