Trajectory 371

Order parameters quality = N/A

Computational methods Simulation metadata
System 100POPC_6214SOL_100DHMDMAB_100CLA_313K_SPCEmodel
Author(s) Melcr, Josef
Date 15/03/2022
DOI 10.5281/zenodo.1118682
Publication N/A
Force field ECC-lipids
Simulation length (ps) 200020
Trajectory size 1594189328
Pre-equilibration time 0
Time left out 0
Temperature (K) 313
Number of particles 42842
Software gromacs
Ions CLA(100), CLA(100), CLA(100), CLA(100), CLA(100), CLA(100), CLA(100), CLA(100), CLA(100), CLA(100), CLA(100), CLA(100), CLA(100), CLA(100), CLA(100), CLA(100), CLA(100), CLA(100), CLA(100)
Water SOL
Lipids - L1 POPC:DHMDMAB (50:50)
Lipids - L2 POPC:DHMDMAB (50:50)
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
DHMDMAB
  • 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

Order Parameters DHMDMAB

Download JSON main

Group sn-1

Group sn-2

Group headgroup

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 : 4.6 nm
Area per lipid : 45.5 Å2