Trajectory 451

Order parameters quality = N/A

Computational methods Simulation metadata
System 80POPC_80CHOL_7200SOL_303K
Author(s) Melcr, Josef
Date 05/07/2022
DOI 10.5281/zenodo.163345
Publication N/A
Force field CHARMM36
Simulation length (ps) 100000.00029814
Trajectory size 4589600276
Pre-equilibration time 0
Time left out 0
Temperature (K) 303
Number of particles 38240
Software openMM
Ions N/A
Water TIP3
Lipids - L1 POPC:CHOL (40:40)
Lipids - L2 POPC:CHOL (40:40)
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

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: N/A

Bilayer thickness : 4.8 nm
Area per lipid : 42.3 Å2