Trajectory 824

Order parameters quality = N/A

Computational methods Simulation metadata
System TOCL_66_Na_Cl_T303_40w/P
Author(s) Nesterenko Alexey
Date 16/10/2024
DOI 10.5281/zenodo.13933145
Publication N/A
Force field Charmm36
Simulation length (ps) 500100
Trajectory size 3884816808
Pre-equilibration time 100
Time left out 0
Temperature (K) 303.15
Number of particles 32362
Software gromacs
Ions SOD(143), CLA(11), SOD(143), CLA(11), SOD(143), CLA(11), SOD(143), CLA(11), SOD(143), CLA(11), SOD(143), CLA(11), SOD(143), CLA(11), SOD(143), CLA(11), SOD(143), CLA(11), SOD(143), CLA(11), SOD(143), CLA(11), SOD(143), CLA(11), SOD(143), CLA(11), SOD(143), CLA(11), SOD(143), CLA(11), SOD(143), CLA(11), SOD(143), CLA(11)
Water TIP3
Lipids - L1 TOCL (33)
Lipids - L2 TOCL (33)
Files View on GitHub main
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 Link to simulation files
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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 : 127.8 Å2