Trajectory 74

Order parameters quality = 0.51

Computational methods Simulation metadata
System 336POPE_13460SOL_310K_v2
Author(s) Thomas Piggot
Date 29/11/2021
DOI 10.5281/zenodo.1293813
Publication N/A
Force field Slipids
Simulation length (ps) 100025
Trajectory size 1237208392
Pre-equilibration time 100
Time left out 0
Temperature (K) 310
Number of particles 82380
Software gromacs
Ions N/A
Water SOL
Lipids - L1 POPE (168)
Lipids - L2 POPE (168)
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Lipids


POPE
  • Quality total: 0.51
  • Quality headgroups: 0.1012
  • Quality tails: 0.71435
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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unpublished/ferreiraPOPE unpublished/ferreiraPOPE/1 OP 310 View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 : 0.51
OP Quality of headgroups: 0.1012
OP Quality of tails: 0.7144
FF Quality: N/A

Bilayer thickness : 0 nm
Area per lipid : 67.2 Å2