Trajectory 770

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC/PSM (70/30) NAMD
Author(s) Milka Doktorova
Date 22/09/2023
DOI 10.5281/zenodo.8357123
Publication Doktorova et al. 2017 Phys. Chem. Chem. Phys. article (DOI 10.1039/c7cp01921a)
Force field CHARMM36
Simulation length (ps) 153.75342045
Trajectory size 2583554876
Pre-equilibration time 0
Time left out 0
Temperature (K) 298
Number of particles 68450
Software NAMD
Ions SOD(35), CLA(35)
Water TIP3
Lipids - L1 SM16:POPC (30:70)
Lipids - L2 SM16:POPC (30:70)
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


POPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
SM16
  • 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 POPC

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters SM16

Download JSON main

Group fa

Group headgroup

Group sphingosine

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 : 59.6 Å2