Trajectory 882

Order parameters quality = 0.065

Computational methods Simulation metadata
System Bilayer
Author(s) Matti Javanainen
Date 17/02/2026
DOI 10.5281/zenodo.3571071
Publication N/A
Force field OPLS-aa
Simulation length (ps) 500000
Trajectory size 654610352
Pre-equilibration time 0
Time left out 0
Temperature (K) 310
Number of particles 35280
Software gromacs
Ions N/A
Water SOL
Lipids - L1 POPE (72)
Lipids - L2 POPE (72)
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Upper leaflet
Lower leaflet

Lipids


POPE
  • Quality total: 0.065
  • Quality headgroups: 0.0445
  • Quality tails: 0.0753
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Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1021/jp511159q 10.1021/jp511159q/1 FF 308 View
unpublished/ferreiraPOPE unpublished/ferreiraPOPE/1 OP 310 View
10.1021/jacs.1c05549 10.1021/jacs.1c05549/2 OP 310 View

Order Parameters POPE

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 : 0.065
OP Quality of headgroups: 0.0445
OP Quality of tails: 0.0753
FF Quality: 2.4765

Bilayer thickness : 4.8 nm
Area per lipid : 51.6 Å2