Trajectory 810

Order parameters quality = 0.6279

Computational methods Simulation metadata
System 200DMPC_2000SOL_300K
Author(s) Milla Kurki (Lindström)
Date 15/05/2024
DOI 10.5281/zenodo.11045073
Publication N/A
Force field OPLS4
Simulation length (ps) 379930
Trajectory size 4204880480
Pre-equilibration time 120
Time left out 0
Temperature (K) 314
Number of particles 29600
Software gromacs
Ions N/A
Water SPC
Lipids - L1 DMPC (100)
Lipids - L2 DMPC (100)
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


DMPC
  • Quality total: 0.6279
  • Quality headgroups: 0.7831
  • Quality tails: 0.5503
Download Mapping File main

Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1039/B508190D 10.1039/B508190D/2 OP 314 View

Order Parameters DMPC

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 : 0.6279
OP Quality of headgroups: 0.7831
OP Quality of tails: 0.5503
FF Quality: N/A

Bilayer thickness : 4 nm
Area per lipid : 60.9 Å2