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)
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