Trajectory 272

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC10%DHMDMAB_T313K
Author(s) Ollila, O.H.Samuli
Date 04/10/2021
DOI 10.5281/zenodo.1288297
Publication N/A
Force field CHARMM36
Simulation length (ps) 200010
Trajectory size 3108686908
Pre-equilibration time 0
Time left out 20
Temperature (K) 313
Number of particles 42050
Software gromacs
Ions CLA(44), CLA(44), CLA(44), CLA(44), CLA(44), CLA(44), CLA(44), CLA(44), CLA(44), CLA(44), CLA(44), CLA(44), CLA(44), CLA(44), CLA(44), CLA(44), CLA(44)
Water TIP3
Lipids - L1 POPC:DHMDMAB (50:22)
Lipids - L2 POPC:DHMDMAB (50:22)
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 nm
Area per lipid : 60.7 Å2