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), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), 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