Trajectory 195

Order parameters quality = 0.1874

Computational methods Simulation metadata
System 500POPE_25000SOL_310K
Author(s) PEÓN, Antonio
Date 03/01/2022
DOI 10.5281/zenodo.4424292
Publication N/A
Force field Lipid17
Simulation length (ps) 100002
Trajectory size 25700881840
Pre-equilibration time 0
Time left out 0
Temperature (K) 310
Number of particles 137500
Software gromacs
Ions N/A
Water WAT
Lipids - L1 POPE (250)
Lipids - L2 POPE (250)
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Lipids


POPE
  • Quality total: 0.1874
  • Quality headgroups: 0.085
  • Quality tails: 0.23855
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Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1021/jp511159q 10.1021/jp511159q/1 FF 308 View
unpublished/ferreiraPOPE unpublished/ferreiraPOPE/1 OP 310 View
10.1021/jacs.1c05549 10.1021/jacs.1c05549/2 OP 310 View

Order Parameters POPE

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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 : 0.1874
OP Quality of headgroups: 0.085
OP Quality of tails: 0.2386
FF Quality: 1.6

Bilayer thickness : 4.5 nm
Area per lipid : 54.6 Å2