Trajectory 821

Order parameters quality = N/A

Computational methods Simulation metadata
System DMPC_BOG_1x1_fh
Author(s) Nesterenko Alexey
Date 03/10/2024
DOI 10.5281/zenodo.13881447
Publication N/A
Force field Charmm36
Simulation length (ps) 500020
Trajectory size 4335142500
Pre-equilibration time 1
Time left out 100
Temperature (K) 303.15
Number of particles 47046
Software gromacs
Ions N/A
Water TIP3
Lipids - L1 DMPC:BOG (45:45)
Lipids - L2 DMPC:BOG (45:45)
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


DMPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
BOG
  • 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 DMPC

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters BOG

Download JSON main

Group tail

Group glucose

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 : 3.6 nm
Area per lipid : 45.4 Å2