Trajectory 827

Order parameters quality = N/A

Computational methods Simulation metadata
System TMCL_BOG_TMA_NaCl_T303_21w/P
Author(s) Nesterenko Alexey
Date 23/10/2024
DOI 10.5281/zenodo.13981147
Publication N/A
Force field Charmm36
Simulation length (ps) 500020
Trajectory size 3591550616
Pre-equilibration time 500
Time left out 0
Temperature (K) 303.15
Number of particles 38388
Software gromacs
Ions TMA(160), CLA(4), SOD(4)
Water TIP3
Lipids - L1 TMCL:BOG (40:40)
Lipids - L2 TMCL:BOG (40:40)
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


BOG
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
TMCL
  • 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 BOG

Download JSON main

Group tail

Group glucose

Order Parameters TMCL

Download JSON main

Group sn-1 1

Group sn-1 2

Group sn-2 1

Group sn-2 2

Group headgroup

Group glycerol backbone 1

Group glycerol backbone 2

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 : 3.5 nm
Area per lipid : 78.6 Å2