Trajectory 844

Order parameters quality = N/A

Computational methods Simulation metadata
System ECOLI_MODEL_MEMBRANE_UIB
Author(s) Alexey Nesterenko and Olivia Lykke Nygaard
Date 11/11/2025
DOI 10.5281/zenodo.16842791
Publication https://doi.org/10.5281/zenodo.15600823
Force field CHARMM36
Simulation length (ps) 1000020
Trajectory size 10908496936
Pre-equilibration time 0
Time left out 0
Temperature (K) 310
Number of particles 58594
Software gromacs
Ions POT(88), CLA(28)
Water TIP3
Lipids - L1 DOPG:PYPE:PVCL (20:75:5)
Lipids - L2 DOPG:PYPE:PVCL (20:75:5)
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


PVCL
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
DOPG
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
PYPE
  • 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 PVCL

Download JSON main

Group sn-1 1

Group sn-1 2

Group sn-2 1

Group sn-2 2

Group headgroup

Group glycerol backbone 1

Group glycerol backbone 2

Order Parameters DOPG

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Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters PYPE

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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 : 4.1 nm
Area per lipid : 63.9 Å2