Trajectory 555

Order parameters quality = N/A

Computational methods Simulation metadata
System 250POPC_50POPS_50POT_298K_73521Atoms
Author(s) Jesper J. Madsen
Date 01/10/2021
DOI 10.5281/zenodo.2542151
Publication N/A
Force field CHARMM36
Simulation length (ps) 200100
Trajectory size 548674636
Pre-equilibration time 0
Time left out 20
Temperature (K) 298
Number of particles 73521
Software gromacs
Ions POT(50)
Water TIP3
Lipids - L1 POPS:POPC (25:125)
Lipids - L2 POPS:POPC (25:125)
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


POPS
  • 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 POPS

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

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 : 4.3 nm
Area per lipid : 62.3 Å2