Trajectory 802

Order parameters quality = 0.7734

Computational methods Simulation metadata
System 200POPC_1500SOL_300K
Author(s) Milla Kurki (Lindström)
Date 15/04/2024
DOI 10.5281/zenodo.10948670
Publication N/A
Force field OPLS4
Simulation length (ps) 399930
Trajectory size 4785770236
Pre-equilibration time 100
Time left out 0
Temperature (K) 300
Number of particles 31300
Software gromacs
Ions N/A
Water SPC
Lipids - L1 POPC (100)
Lipids - L2 POPC (100)
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Lower leaflet

Lipids


POPC
  • Quality total: 0.7734
  • Quality headgroups: 0.7135
  • Quality tails: 0.80335
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Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1021/acs.jpcb.4c04719 10.1021/acs.jpcb.4c04719/2 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 : 0.7734
OP Quality of headgroups: 0.7135
OP Quality of tails: 0.8034
FF Quality: N/A

Bilayer thickness : 4.5 nm
Area per lipid : 60.1 Å2