Trajectory 645

Order parameters quality = N/A

Computational methods Simulation metadata
System 256DOPC_64CHOL_16000SOL_333K
Author(s) Javanainen, Matti
Date 20/09/2022
DOI 10.5281/zenodo.6943929
Publication N/A
Force field CHARMM36
Simulation length (ps) 1001000
Trajectory size 324367296
Pre-equilibration time 0
Time left out 0
Temperature (K) 333.15
Number of particles 88064
Software gromacs
Ions N/A
Water TIP3
Lipids - L1 DOPC:CHOL (128:39)
Lipids - L2 DOPC:CHOL (128:25)
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

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

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 : 4.3 nm
Area per lipid : 60 Å2