Trajectory 764

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC/SSM/CHOL bilayer in water (with ions), 321.15 K, NPT
Author(s) Kai Stroh, Jelger Risselada, Luca MONTICELLI
Date 12/09/2023
DOI 10.5281/zenodo.8337239
Publication N/A
Force field CHARMM36
Simulation length (ps) 300100
Trajectory size 684888780
Pre-equilibration time 0
Time left out 50
Temperature (K) 321.15
Number of particles 61136
Software gromacs
Ions SOD(18), CLA(18)
Water TIP3
Lipids - L1 SM18:POPC:CHOL (50:50:50)
Lipids - L2 SM18:POPC:CHOL (50:50:50)
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


CHOL
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
SM18
  • 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 CHOL

Download JSON main

Group tail

Order Parameters SM18

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Group fa

Group headgroup

Group sphingosine

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 : 5 nm
Area per lipid : 43.9 Å2