Trajectory 487

Order parameters quality = N/A

Computational methods Simulation metadata
System 204DPPC_52CHOL_166DOPC_16880SOL_46SOD_46CLA_293K
Author(s) Javanainen, Matti; Martinez-Seara, Hector; Vattulainen, Ilpo
Date 21/12/2021
DOI 10.5281/zenodo.3540513
Publication N/A
Force field Slipids
Simulation length (ps) 600100
Trajectory size 2303814768
Pre-equilibration time 0
Time left out 0
Temperature (K) 293
Number of particles 104008
Software gromacs
Ions SOD(46), CLA(46), SOD(46), CLA(46), SOD(46), CLA(46), SOD(46), CLA(46), SOD(46), CLA(46), SOD(46), CLA(46), SOD(46), CLA(46), SOD(46), CLA(46), SOD(46), CLA(46), SOD(46), CLA(46), SOD(46), CLA(46), SOD(46), CLA(46), SOD(46), CLA(46), SOD(46), CLA(46), SOD(46), CLA(46), SOD(46), CLA(46), SOD(46), CLA(46)
Water SOL
Lipids - L1 DPPC:CHOL:DOPC (105:27:83)
Lipids - L2 DPPC:CHOL:DOPC (99:25:83)
Files View on GitHub main
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 Link to simulation files
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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

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters DPPC

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 : 0 nm
Area per lipid : 42.9 Å2