Trajectory 55

Order parameters quality = N/A

Computational methods Simulation metadata
System 1032DPPC_120CHOL_46440SOL_124SOD_124CLA_305K
Author(s) Javanainen, Matti; Martinez-Seara, Hector; Vattulainen, Ilpo
Date 18/12/2021
DOI 10.5281/zenodo.3539263
Publication 10.1038/s41598-017-01247-9
Force field Slipids
Simulation length (ps) 1000100
Trajectory size 10557370368
Pre-equilibration time 0
Time left out 0
Temperature (K) 305
Number of particles 282608
Software gromacs
Ions SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124)
Water SOL
Lipids - L1 DPPC:CHOL (516:59)
Lipids - L2 DPPC:CHOL (516:61)
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
DPPC
  • 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 DPPC

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 : 4.9 nm
Area per lipid : 47.9 Å2