Trajectory 679

Order parameters quality = N/A

Computational methods Simulation metadata
System MacRog_POPC_CHOL38_M
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 403263524
Pre-equilibration time 0
Time left out 100
Temperature (K) 298.15
Number of particles 108544
Software gromacs
Ions N/A
Water SOL
Lipids - L1 POPC:CHOL (128:80)
Lipids - L2 POPC:CHOL (128:80)
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


CHOL
  • 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
10.1021/acs.jctc.3c00648 10.1021/acs.jctc.3c00648/8 FF 300 View
10.1021/acs.jctc.3c00648 10.1021/acs.jctc.3c00648/7 FF 300 View

Order Parameters CHOL

Download JSON main

Group tail

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: 1.729

Bilayer thickness : 5 nm
Area per lipid : 42.4 Å2