Trajectory 808

Order parameters quality = 0.2985

Computational methods Simulation metadata
System 200DMPC_10kSOL_300K
Author(s) Milla Kurki
Date 10/04/2024
DOI 10.5281/zenodo.10949663
Publication N/A
Force field CHARMM36
Simulation length (ps) 500010
Trajectory size 9904706876
Pre-equilibration time 0
Time left out 100
Temperature (K) 314
Number of particles 53600
Software gromacs
Ions N/A
Water TIP3
Lipids - L1 DMPC (100)
Lipids - L2 DMPC (100)
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Upper leaflet
Lower leaflet

Lipids


DMPC
  • Quality total: 0.2985
  • Quality headgroups: 0.6561
  • Quality tails: 0.11965
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Related experiments:

Article DOI Internal ID Type Temperature Actions
unpublished/nesterenkoDMPCbOG unpublished/nesterenkoDMPCbOG/1 OP 315 View
10.1039/B508190D 10.1039/B508190D/3 OP 314 View

Order Parameters DMPC

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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 : 0.2985
OP Quality of headgroups: 0.6561
OP Quality of tails: 0.1196
FF Quality: N/A

Bilayer thickness : 3.9 nm
Area per lipid : 61.7 Å2