Trajectory 766

Order parameters quality = N/A

Computational methods Simulation metadata
System TOCL NAMD
Author(s) Milka Doktorova
Date 14/09/2023
DOI 10.5281/zenodo.8341624
Publication Doktorova et al. 2017 Phys. Chem. Chem. Phys. article (DOI 10.1039/c7cp01921a)
Force field CHARMM36
Simulation length (ps) 378.98140392
Trajectory size 4003443156
Pre-equilibration time 0
Time left out 0
Temperature (K) 303
Number of particles 43030
Software NAMD
Ions POT(215), CLA(15), POT(215), CLA(15), POT(215), CLA(15), POT(215), CLA(15), POT(215), CLA(15), POT(215), CLA(15), POT(215), CLA(15), POT(215), CLA(15), POT(215), CLA(15), POT(215), CLA(15), POT(215), CLA(15), POT(215), CLA(15), POT(215), CLA(15), POT(215), CLA(15), POT(215), CLA(15), POT(215), CLA(15), POT(215), CLA(15)
Water TIP3
Lipids - L1 TOCL (50)
Lipids - L2 TOCL (50)
Files View on GitHub main
 Download PDB File
 Link to simulation files
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Lower leaflet

Lipids


TOCL
  • 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 TOCL

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 : 4 nm
Area per lipid : 130.5 Å2