Trajectory 867

Order parameters quality = N/A

Computational methods Simulation metadata
System POPI-POPC (20:80), full hydration, 310 K, NH4+ counter ions
Author(s) Kurki, Milla
Date 03/01/2026
DOI 10.5281/zenodo.10259002
Publication N/A
Force field CHARMM36
Simulation length (ps) 500010
Trajectory size 10621806076
Pre-equilibration time 2.8
Time left out 50
Temperature (K) 310
Number of particles 57120
Software gromacs
Ions NH4(40)
Water TIP3
Lipids - L1 POPI:POPC (20:80)
Lipids - L2 POPI:POPC (20:80)
Files View on GitHub main
 Download PDB File
 Link to simulation files
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Upper leaflet
Lower leaflet

Lipids


POPI
  • 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 POPI

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 : 4.3 nm
Area per lipid : 64.1 Å2