Trajectory 853

Order parameters quality = N/A

Computational methods Simulation metadata
System POPI-POPE (40:60), full hydration, 310 K, NH4+ counter ions
Author(s) Kurki, Milla
Date 29/12/2025
DOI 10.5281/zenodo.10261345
Publication N/A
Force field CHARMM36
Simulation length (ps) 500010
Trajectory size 10404121448
Pre-equilibration time 3
Time left out 100
Temperature (K) 310
Number of particles 56360
Software gromacs
Ions NH4(80)
Water TIP3
Lipids - L1 POPI:POPE (40:60)
Lipids - L2 POPI:POPE (40:60)
Files View on GitHub main
 Download PDB File
 Link to simulation files
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Upper leaflet
Lower leaflet

Lipids


POPE
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPI
  • 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 POPE

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters POPI

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 : 4.6 nm
Area per lipid : 58.6 Å2