Trajectory 61

Order parameters quality = N/A

Computational methods Simulation metadata
System 512DPPC_20480SOL_55SOD_55CLA_320K
Author(s) Martinez-Seara, Hector; Javanainen, Matti; Rissanen, Sami; Lolicato, Fabio
Date 05/10/2021
DOI 10.5281/zenodo.16276
Publication N/A
Force field CHARMM36
Simulation length (ps) 400000
Trajectory size 1916776844
Pre-equilibration time 0
Time left out 0
Temperature (K) 320
Number of particles 128110
Software gromacs
Ions SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55)
Water SOL
Lipids - L1 DPPC (256)
Lipids - L2 DPPC (256)
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


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 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 : 4.7 nm
Area per lipid : 54 Å2