Trajectory 47

Order parameters quality = 0.6186

Computational methods Simulation metadata
System 1024DOPC_51200SOL_303K
Author(s) Javanainen, Matti
Date 16/08/2022
DOI 10.5281/zenodo.6943086
Publication N/A
Force field CHARMM36
Simulation length (ps) 1001000
Trajectory size 1103759636
Pre-equilibration time 0
Time left out 0
Temperature (K) 303.15
Number of particles 294912
Software gromacs
Ions N/A
Water TIP3
Lipids - L1 DOPC (512)
Lipids - L2 DOPC (512)
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Lipids


DOPC
  • Quality total: 0.6186
  • Quality headgroups: 0.6416
  • Quality tails: 0.60705
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Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1529/biophysj.108.132662 10.1529/biophysj.108.132662/1 FF 303 View
unpublished/ferreiraDOPC unpublished/ferreiraDOPC/1 OP 303 View

Order Parameters DOPC

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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 : 0.6186
OP Quality of headgroups: 0.6416
OP Quality of tails: 0.607
FF Quality: 1.33

Bilayer thickness : 4.1 nm
Area per lipid : 68 Å2