Trajectory 509

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC:POPG(1:1)+1MCaCl_T298K
Author(s) Kiirikki, M. Anne; Ollila O. H. Samuli
Date 21/12/2021
DOI 10.5281/zenodo.3997135
Publication N/A
Force field CHARMM36
Simulation length (ps) 300020
Trajectory size 7263962844
Pre-equilibration time 100
Time left out 0
Temperature (K) 298
Number of particles 130332
Software gromacs
Ions SOD(150), CAL(578), CLA(1156), SOD(150), CAL(578), CLA(1156), SOD(150), CAL(578), CLA(1156), SOD(150), CAL(578), CLA(1156), SOD(150), CAL(578), CLA(1156), SOD(150), CAL(578), CLA(1156), SOD(150), CAL(578), CLA(1156), SOD(150), CAL(578), CLA(1156), SOD(150), CAL(578), CLA(1156), SOD(150), CAL(578), CLA(1156), SOD(150), CAL(578), CLA(1156), SOD(150), CAL(578), CLA(1156), SOD(150), CAL(578), CLA(1156), SOD(150), CAL(578), CLA(1156), SOD(150), CAL(578), CLA(1156), SOD(150), CAL(578), CLA(1156), SOD(150), CAL(578), CLA(1156)
Water TIP3
Lipids - L1 POPC:POPG (75:75)
Lipids - L2 POPC:POPG (75:75)
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: 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 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 : N/A
OP Quality of headgroups: N/A
OP Quality of tails: N/A
FF Quality: N/A

Bilayer thickness : 4.4 nm
Area per lipid : 60.7 Å2