Trajectory 197

Order parameters quality = N/A

Computational methods Simulation metadata
System 126POPG_374POPE_25000SOL_176SOD_50CLA_310K
Author(s) PEÓN, Antonio
Date 05/10/2021
DOI 10.5281/zenodo.2579108
Publication N/A
Force field CHARMM36
Simulation length (ps) 100010
Trajectory size 5164944108
Pre-equilibration time 400
Time left out 0
Temperature (K) 310
Number of particles 137978
Software gromacs
Ions CLA(50), SOD(176), CLA(50), SOD(176), CLA(50), SOD(176), CLA(50), SOD(176), CLA(50), SOD(176), CLA(50), SOD(176), CLA(50), SOD(176), CLA(50), SOD(176), CLA(50), SOD(176), CLA(50), SOD(176), CLA(50), SOD(176), CLA(50), SOD(176), CLA(50), SOD(176), CLA(50), SOD(176), CLA(50), SOD(176), CLA(50), SOD(176), CLA(50), SOD(176)
Water SOL
Lipids - L1 POPG:POPE (63:187)
Lipids - L2 POPG:POPE (63:187)
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


POPE
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPG
  • 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 POPE

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters POPG

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 : 4.5 nm
Area per lipid : 56.8 Å2