Trajectory 146

Order parameters quality = 0.0001

Computational methods Simulation metadata
System POPC:POPG(1:1)_T298K
Author(s) Ollila, O.H.Samuli; Virtanen, I.Salla
Date 05/10/2021
DOI 10.5281/zenodo.3859339
Publication N/A
Force field lipid17ecc
Simulation length (ps) 347500
Trajectory size 8278576984
Pre-equilibration time 0
Time left out 15
Temperature (K) 298
Number of particles 128895
Software gromacs
Ions SOD(150)
Water SOL
Lipids - L1 POPG:POPC (76:75)
Lipids - L2 POPG:POPC (74:75)
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


POPG
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPC
  • Quality total: 0.0014
  • Quality headgroups: 0.0014
  • Quality tails: N/A
Download Mapping File main

Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1002/j.1460-2075.1987.tb02595.x 10.1002/j.1460-2075.1987.tb02595.x/6 OP 298 View
10.1002/j.1460-2075.1987.tb02595.x 10.1002/j.1460-2075.1987.tb02595.x/5 OP 298 View

Order Parameters POPG

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 : 0.0001
OP Quality of headgroups: 0.0001
OP Quality of tails: 0
FF Quality: N/A

Bilayer thickness : 4 nm
Area per lipid : 62.4 Å2