Trajectory 202

Order parameters quality = 0.152

Computational methods Simulation metadata
System POPC_298
Author(s) Samuli Ollila (samuli.ollila@helsinki.fi)
Date 08/02/2022
DOI 10.5281/zenodo.5997385
Publication N/A
Force field GROMOS-CKP
Simulation length (ps) 350010
Trajectory size 13249485536
Pre-equilibration time 150
Time left out 250
Temperature (K) 298
Number of particles 101000
Software gromacs
Ions N/A
Water SOL
Lipids - L1 POPC (250)
Lipids - L2 POPC (250)
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Upper leaflet
Lower leaflet

Lipids


POPC
  • Quality total: 0.152
  • Quality headgroups: 0.0724
  • Quality tails: 0.19185
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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 : 0.152
OP Quality of headgroups: 0.0724
OP Quality of tails: 0.1919
FF Quality: 1.355

Bilayer thickness : 4.3 nm
Area per lipid : 63.7 Å2