Trajectory 803

Order parameters quality = 0.8135

Computational methods Simulation metadata
System 200POPC_4000SOL_300K
Author(s) Milla Kurki (Lindström)
Date 18/04/2024
DOI 10.5281/zenodo.10929839
Publication N/A
Force field OPLS4
Simulation length (ps) 479930
Trajectory size 7043393424
Pre-equilibration time 20
Time left out 80
Temperature (K) 300
Number of particles 38800
Software gromacs
Ions N/A
Water SPC
Lipids - L1 POPC (100)
Lipids - L2 POPC (100)
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Upper leaflet
Lower leaflet

Lipids


POPC
  • Quality total: 0.8135
  • Quality headgroups: 0.7039
  • Quality tails: 0.8683
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Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1021/acs.jpcb.4c04719 10.1021/acs.jpcb.4c04719/5 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 : 0.8135
OP Quality of headgroups: 0.7039
OP Quality of tails: 0.8683
FF Quality: N/A

Bilayer thickness : 4 nm
Area per lipid : 66.4 Å2