Trajectory 82

Order parameters quality = 0.2479

Computational methods Simulation metadata
System POPC:CHOL(1:1)_T298K
Author(s) Fernando Favela
Date 04/10/2021
DOI 10.5281/zenodo.159434
Publication N/A
Force field Slipids
Simulation length (ps) 100100
Trajectory size 425433616
Pre-equilibration time 70
Time left out 0
Temperature (K) 298
Number of particles 114250
Software gromacs
Ions N/A
Water SOL
Lipids - L1 CHOL:POPC (128:128)
Lipids - L2 CHOL:POPC (128:128)
Files View on GitHub main
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 Link to simulation files
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Lower leaflet

Lipids


CHOL
  • Quality total: 0.3925
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPC
  • Quality total: 0.5992
  • Quality headgroups: 0.7061
  • Quality tails: 0.5458
Download Mapping File main

Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1021/acs.jctc.3c00648 10.1021/acs.jctc.3c00648/10 FF 300 View
10.1039/c2cp42738a 10.1039/c2cp42738a/5 OP 300 View

Order Parameters CHOL

Download JSON main

Group tail

Order Parameters POPC

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 : 0.2479
OP Quality of headgroups: 0.1765
OP Quality of tails: 0.2346
FF Quality: 3.3858

Bilayer thickness : 4.7 nm
Area per lipid : 41.3 Å2