Trajectory 491

Order parameters quality = N/A

Computational methods Simulation metadata
System 204DPPC_52CHOL_166DOPC_16880SOL_304SOD_304CLA_310K
Author(s) Javanainen, Matti
Date 18/12/2021
DOI 10.5281/zenodo.259443
Publication N/A
Force field Slipids for lipids and Smith & Dang for ions
Simulation length (ps) 200100
Trajectory size 773666636
Pre-equilibration time 0
Time left out 0
Temperature (K) 310
Number of particles 104524
Software gromacs
Ions SOD(304), CLA(304), SOD(304), CLA(304), SOD(304), CLA(304), SOD(304), CLA(304), SOD(304), CLA(304), SOD(304), CLA(304), SOD(304), CLA(304), SOD(304), CLA(304), SOD(304), CLA(304), SOD(304), CLA(304), SOD(304), CLA(304), SOD(304), CLA(304), SOD(304), CLA(304), SOD(304), CLA(304), SOD(304), CLA(304), SOD(304), CLA(304), SOD(304), CLA(304)
Water SOL
Lipids - L1 DPPC:CHOL:DOPC (102:25:83)
Lipids - L2 DPPC:CHOL:DOPC (102:27:83)
Files View on GitHub main
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 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
DOPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
DPPC
  • 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 DOPC

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Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters DPPC

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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 : 4.6 nm
Area per lipid : 53.7 Å2