Trajectory 505

Order parameters quality = N/A

Computational methods Simulation metadata
System POPE_POPG_SOD_SOL_310K
Author(s) PEÓN, Antonio
Date 03/01/2022
DOI 10.5281/zenodo.3241269
Publication N/A
Force field Lipid17 for lipids and AMBER ff15ipq for ions
Simulation length (ps) 100010
Trajectory size 5105779360
Pre-equilibration time 400
Time left out 0
Temperature (K) 310
Number of particles 137878
Software gromacs
Ions SOD(126)
Water WAT
Lipids - L1 POPE:POPG (187:63)
Lipids - L2 POPE:POPG (187:63)
Files View on GitHub main
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 Link to simulation files
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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 : 4.5 nm
Area per lipid : 55.9 Å2