Trajectory 592

Order parameters quality = 0.0001

Computational methods Simulation metadata
System POPC:POPG(1:1)_T298K
Author(s) Kiirikki, M. Anne; Ollila, O. H. Samuli
Date 01/10/2021
DOI 10.5281/zenodo.3997116
Publication N/A
Force field CHARMM36
Simulation length (ps) 300020
Trajectory size 7413293748
Pre-equilibration time 100
Time left out 0
Temperature (K) 298
Number of particles 133800
Software gromacs
Ions SOD(150)
Water TIP3
Lipids - L1 POPG:POPC (75:75)
Lipids - L2 POPG:POPC (75:75)
Files View on GitHub main
 Download PDB File
 Link to simulation files
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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: 0.0024
  • Quality headgroups: 0.0024
  • 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 : 4.1 nm
Area per lipid : 64.3 Å2