Trajectory 140

Order parameters quality = N/A

Computational methods Simulation metadata
System 102POPC_26POPS_26SOD_4290SOL_310K_Berger
Author(s) Ollila O. H. Samuli
Date 24/03/2022
DOI 10.5281/zenodo.1475285
Publication N/A
Force field Berger
Simulation length (ps) 80004
Trajectory size 1463959460
Pre-equilibration time 40
Time left out 0
Temperature (K) 310
Number of particles 19630
Software gromacs
Ions SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26), SOD(26)
Water SOL
Lipids - L1 POPC:POPS (51:13)
Lipids - L2 POPC:POPS (51:13)
Files View on GitHub main
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 Link to simulation files
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Lower leaflet

Lipids


POPS
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPC
  • 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 POPS

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters POPC

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

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 : 4.8 nm
Area per lipid : 56.3 Å2