Trajectory 789

Order parameters quality = 0.2969

Computational methods Simulation metadata
System DMPC(313K,pme)
Author(s) Alexey Nesterenko
Date 16/10/2023
DOI 10.5281/zenodo.8431710
Publication N/A
Force field Charmm36
Simulation length (ps) 538540
Trajectory size 22175353872
Pre-equilibration time 0
Time left out 100
Temperature (K) 313.15
Number of particles 17152
Software gromacs
Ions N/A
Water TIP3
Lipids - L1 DMPC (32)
Lipids - L2 DMPC (32)
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Lower leaflet

Lipids


DMPC
  • Quality total: 0.2969
  • Quality headgroups: 0.6318
  • Quality tails: 0.1295
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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unpublished/nesterenkoDMPCbOG unpublished/nesterenkoDMPCbOG/1 OP 315 View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 : 0.2969
OP Quality of headgroups: 0.6318
OP Quality of tails: 0.1295
FF Quality: N/A

Bilayer thickness : 4 nm
Area per lipid : 61.2 Å2