Trajectory 596

Order parameters quality = N/A

Computational methods Simulation metadata
System 126POPG_374POPE_25000SOL_126SOD_310K
Author(s) ANTONIO PEON
Date 05/10/2021
DOI 10.5281/zenodo.3249960
Publication N/A
Force field CHARMM36 and CHARMM TIP3P
Simulation length (ps) 100010
Trajectory size 5103878276
Pre-equilibration time 400
Time left out 0
Temperature (K) 310
Number of particles 137878
Software gromacs
Ions SOD(126)
Water SOL
Lipids - L1 POPG:POPE (63:187)
Lipids - L2 POPG:POPE (63:187)
Files View on GitHub main
 Download PDB File
 Link to simulation files
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Upper leaflet
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 : 4.4 nm
Area per lipid : 57.1 Å2