Trajectory 165

Order parameters quality = N/A

Computational methods Simulation metadata
System 512POPC_50CER_28100SOL_75SOD_75CLA_310K
Author(s) Hector Martinez-Seara
Date 11/11/2021
DOI 10.5281/zenodo.1219494
Publication 10.1021/acscentsci.7b00556
Force field CHARMM36
Simulation length (ps) 1069800
Trajectory size 6274964124
Pre-equilibration time 0
Time left out 0
Temperature (K) 310
Number of particles 158308
Software gromacs
Ions SOD(75), CLA(75), SOD(75), CLA(75), SOD(75), CLA(75), SOD(75), CLA(75), SOD(75), CLA(75), SOD(75), CLA(75), SOD(75), CLA(75), SOD(75), CLA(75), SOD(75), CLA(75), SOD(75), CLA(75), SOD(75), CLA(75), SOD(75), CLA(75), SOD(75), CLA(75), SOD(75), CLA(75), SOD(75), CLA(75), SOD(75), CLA(75), SOD(75), CLA(75)
Water SOL
Lipids - L1 POPC:CER (256:25)
Lipids - L2 POPC:CER (256:25)
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


CER
  • 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 CER

Download JSON main

Group sn-1

Group sn-2

Group backbone

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 : 4.3 nm
Area per lipid : 61.7 Å2