Trajectory 675

Order parameters quality = 0.659

Computational methods Simulation metadata
System MacRog_POPC_M
Author(s) Matti Javanainen
Date 17/10/2022
DOI 10.5281/zenodo.7061800
Publication N/A
Force field MacRog
Simulation length (ps) 1001000
Trajectory size 270803004
Pre-equilibration time 0
Time left out 100
Temperature (K) 298.15
Number of particles 72704
Software gromacs
Ions N/A
Water SOL
Lipids - L1 POPC (128)
Lipids - L2 POPC (128)
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Upper leaflet
Lower leaflet

Lipids


POPC
  • Quality total: 0.659
  • Quality headgroups: 0.6558
  • Quality tails: 0.66055
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Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1021/acs.jctc.3c00648 10.1021/acs.jctc.3c00648/1 FF 300 View
10.1039/c2cp42738a 10.1039/c2cp42738a/1 OP 298 View
10.1021/acs.jpcb.4c04719 10.1021/acs.jpcb.4c04719/4 OP 298 View

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 : 0.659
OP Quality of headgroups: 0.6558
OP Quality of tails: 0.6606
FF Quality: 0.545

Bilayer thickness : 4 nm
Area per lipid : 67.3 Å2