Trajectory 3

Order parameters quality = N/A

Computational methods Simulation metadata
System DMPC/liverPI bilayer
Author(s) Matti Javanainen (), Hector Martinez-Seara ()
Date 01/10/2021
DOI 10.5281/zenodo.4651415
Publication N/A
Force field CHARMM36
Simulation length (ps) 2000100
Trajectory size 5194468496
Pre-equilibration time 0
Time left out 500
Temperature (K) 303.15
Number of particles 70516
Software gromacs
Ions CLA(28), SOD(104)
Water TIP3
Lipids - L1 DMPC:SAPI:POPI:SLPI (90:23:8:7)
Lipids - L2 DMPC:SAPI:POPI:SLPI (90:23:8:7)
Files View on GitHub main
 Download PDB File
 Link to simulation files
Hover over a component to view composition data.
Upper leaflet
Lower leaflet

Lipids


DMPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
SAPI
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPI
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
SLPI
  • 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 DMPC

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters SAPI

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Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters POPI

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters SLPI

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 : 4.2 nm
Area per lipid : 60.6 Å2