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)
Water SOL
Lipids - L1 DPPC:CHOL:DOPC (102:25:83)
Lipids - L2 DPPC:CHOL:DOPC (102:27:83)
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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

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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