Trajectory 485

Order parameters quality = N/A

Computational methods Simulation metadata
System 374POPG_126POPE_25000SOL_374SOD_310K
Author(s) ANTONIO PEON
Date 04/10/2021
DOI 10.5281/zenodo.3250127
Publication N/A
Force field CHARMM36
Simulation length (ps) 100010
Trajectory size 5134089676
Pre-equilibration time 400
Time left out 0
Temperature (K) 310
Number of particles 138622
Software gromacs
Ions SOD(374), SOD(374), SOD(374), SOD(374), SOD(374), SOD(374), SOD(374), SOD(374), SOD(374), SOD(374), SOD(374), SOD(374), SOD(374), SOD(374), SOD(374), SOD(374), SOD(374), SOD(374), SOD(374)
Water SOL
Lipids - L1 POPG:POPE (187:63)
Lipids - L2 POPG:POPE (187:63)
Files View on GitHub main
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 Link to simulation files
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Lower leaflet

Lipids


POPE
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPG
  • 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 POPE

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters POPG

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 nm
Area per lipid : 63.8 Å2