Trajectory 836

Order parameters quality = 0.3347

Computational methods Simulation metadata
System POPCandTIP3P
Author(s) Hoelfich, Jullianne
Date 14/05/2025
DOI 10.5281/zenodo.15065748
Publication N/A
Force field FF-development
Simulation length (ps) 500100
Trajectory size 612881128
Pre-equilibration time 100
Time left out 50
Temperature (K) 300
Number of particles 32512
Software gromacs
Ions N/A
Water TIP3P
Lipids - L1 POPC (128)
Lipids - L2 N/A
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 Link to simulation files
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Upper leaflet
Lower leaflet

Lipids


POPC
  • Quality total: 0.3347
  • Quality headgroups: 0.1176
  • Quality tails: 0.4433
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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 : 0.3347
OP Quality of headgroups: 0.1176
OP Quality of tails: 0.4433
FF Quality: 2.155

Bilayer thickness : 4.4 nm
Area per lipid : 60.5 Å2