Trajectory 674

Order parameters quality = 0.665

Computational methods Simulation metadata
System MacRog_POPC_S
Author(s) Matti Javanainen
Date 17/10/2022
DOI 10.5281/zenodo.7061800
Publication N/A
Force field MacRog
Simulation length (ps) 1001000
Trajectory size 67109644
Pre-equilibration time 0
Time left out 100
Temperature (K) 298.15
Number of particles 18176
Software gromacs
Ions N/A
Water SOL
Lipids - L1 POPC (32)
Lipids - L2 POPC (32)
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


POPC
  • Quality total: 0.665
  • Quality headgroups: 0.6013
  • Quality tails: 0.6968
Download Mapping File main

Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1021/acs.jctc.3c00648 10.1021/acs.jctc.3c00648/1 FF 300 View
10.1039/c2cp42738a 10.1039/c2cp42738a/1 OP 298 View
10.1021/acs.jpcb.4c04719 10.1021/acs.jpcb.4c04719/4 OP 298 View

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 : 0.665
OP Quality of headgroups: 0.6013
OP Quality of tails: 0.6968
FF Quality: 0.545

Bilayer thickness : 4 nm
Area per lipid : 67.2 Å2