Trajectory 809

Order parameters quality = 0.6488

Computational methods Simulation metadata
System 200DMPC_2kSOL_300K
Author(s) Milla Kurki
Date 10/04/2024
DOI 10.5281/zenodo.10952764
Publication N/A
Force field CHARMM36
Simulation length (ps) 450010
Trajectory size 4925131896
Pre-equilibration time 50
Time left out 50
Temperature (K) 314
Number of particles 29600
Software gromacs
Ions N/A
Water TIP3
Lipids - L1 DMPC (100)
Lipids - L2 DMPC (100)
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Lipids


DMPC
  • Quality total: 0.6488
  • Quality headgroups: 0.6456
  • Quality tails: 0.65045
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Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1039/B508190D 10.1039/B508190D/2 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 : 0.6488
OP Quality of headgroups: 0.6456
OP Quality of tails: 0.6504
FF Quality: N/A

Bilayer thickness : 4.1 nm
Area per lipid : 58.5 Å2