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
 Link to simulation files
Hover over a component to view composition data.
Upper leaflet
Lower leaflet

Lipids


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

Download JSON main

Group fa

Group headgroup

Group sphingosine

Order Parameters POPC

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 : 4.5 nm
Area per lipid : 59.6 Å2