Trajectory 828

Order parameters quality = 0.3899

Computational methods Simulation metadata
System POPCandTIP3P
Author(s) Hoelfich, Jullianne
Date 11/02/2025
DOI 10.5281/zenodo.14713771
Publication N/A
Force field Sage 2.2.1
Simulation length (ps) 500100
Trajectory size 612650848
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 (64)
Lipids - L2 POPC (64)
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Upper leaflet
Lower leaflet

Lipids


POPC
  • Quality total: 0.3899
  • Quality headgroups: 0.5495
  • Quality tails: 0.3101
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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 : 0.3899
OP Quality of headgroups: 0.5495
OP Quality of tails: 0.3101
FF Quality: 2.355

Bilayer thickness : 4.5 nm
Area per lipid : 59 Å2