Trajectory 63

Order parameters quality = 0.5974

Computational methods Simulation metadata
System 288POPC_14400SOL_298K
Author(s) Javanainen, Matti
Date 17/01/2022
DOI 10.5281/zenodo.13498
Publication 10.1101/2020.11.09.374850; 10.1021/acs.jpcb.5b04878
Force field MacRog
Simulation length (ps) 40010
Trajectory size 1204937780
Pre-equilibration time 50
Time left out 0
Temperature (K) 298
Number of particles 81792
Software gromacs
Ions N/A
Water SOL
Lipids - L1 POPC (144)
Lipids - L2 POPC (144)
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Lower leaflet

Lipids


POPC
  • Quality total: 0.5974
  • Quality headgroups: 0.6216
  • Quality tails: 0.58535
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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

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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 : 0.5974
OP Quality of headgroups: 0.6216
OP Quality of tails: 0.5854
FF Quality: 0.545

Bilayer thickness : 4 nm
Area per lipid : 67.2 Å2