Trajectory 774

Order parameters quality = N/A

Computational methods Simulation metadata
System (innerleaflet,76CHOL,30POPC,52POPE,26POPS,6SAPI24)(outerleaflet,76CHOL,52POPC,6POPE,2POPS,57PSM),13495SOL,52SOD
Author(s) Reza Talandashti and Nathalie Reuter
Date 27/09/2023
DOI 10.5281/zenodo.8369348
Publication N/A
Force field CHARMM36m
Simulation length (ps) 200000.00059628
Trajectory size 1967488276
Pre-equilibration time 0
Time left out 0
Temperature (K) 310
Number of particles 81972
Software NAMD
Ions SOD(52), SOD(52)
Water TIP3
Lipids - L1 POPC:POPE:POPS:SM16:CHOL (52:6:2:57:76)
Lipids - L2 POPC:POPE:POPS:SAPI24:SM16:CHOL (30:52:26:6:2:76)
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


POPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
SM16
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
SAPI24
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPE
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
CHOL
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPS
  • 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 POPC

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Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters SM16

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Group fa

Group headgroup

Group sphingosine

Order Parameters SAPI24

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Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters POPE

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters CHOL

Download JSON main

Group tail

Order Parameters POPS

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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 : 4.9 nm
Area per lipid : 43.3 Å2