Trajectory 466

Order parameters quality = N/A

Computational methods Simulation metadata
System 512POPC_20480SOL_55SOD_55CLA_310K
Author(s) Hector Martinez-Seara
Date 12/10/2021
DOI 10.5281/zenodo.3228177
Publication 10.1021/acscentsci.7b00582
Force field CHARMM36
Simulation length (ps) 4177500
Trajectory size 20396525264
Pre-equilibration time 0
Time left out 0
Temperature (K) 310
Number of particles 130158
Software gromacs
Ions 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), SOD(55)
Water SOL
Lipids - L1 POPC (256)
Lipids - L2 POPC (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


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 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 : 4.2 nm
Area per lipid : 64.6 Å2