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), POT(50), POT(50), POT(50), POT(50), POT(50), POT(50), POT(50), POT(50), POT(50), POT(50), POT(50), POT(50), POT(50), POT(50), POT(50), 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.
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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