Trajectory 718

Order parameters quality = N/A

Computational methods Simulation metadata
System DOGandCHOLinPOPEwithLipid17
Author(s) Saara Lautala and Suvi Heinonen
Date 15/11/2022
DOI 10.5281/zenodo.6822850
Publication doi.org/10.1016/j.bbamem.2022.183961
Force field Lipid17
Simulation length (ps) 1000020
Trajectory size 6096554608
Pre-equilibration time 20
Time left out 100
Temperature (K) 310
Number of particles 32950
Software gromacs
Ions N/A
Water SOL
Lipids - L1 POPE:DOG:CHOL (37:6:21)
Lipids - L2 POPE:DOG:CHOL (37:6:21)
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


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

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Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters DOG

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Group sn-1

Group sn-2

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 : 4.5 nm
Area per lipid : 45.9 Å2