Trajectory 797

Order parameters quality = 0.5887

Computational methods Simulation metadata
System POPCandTIP3P
Author(s) Hoeflich, Julianne
Date 02/04/2024
DOI 10.5281/zenodo.10783846
Publication N/A
Force field OpenFF
Simulation length (ps) 200010
Trajectory size 2449691176
Pre-equilibration time 100
Time left out 0
Temperature (K) 300
Number of particles 32512
Software gromacs
Ions N/A
Water TIP3P
Lipids - L1 POPC (64)
Lipids - L2 POPC (64)
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Upper leaflet
Lower leaflet

Lipids


POPC
  • Quality total: 0.5887
  • Quality headgroups: 0.6252
  • Quality tails: 0.57045
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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 : 0.5887
OP Quality of headgroups: 0.6252
OP Quality of tails: 0.5704
FF Quality: 1.055

Bilayer thickness : 4.3 nm
Area per lipid : 62.2 Å2