Trajectory 497

Order parameters quality = 0.4977

Computational methods Simulation metadata
System POPC_T298K
Author(s) Samuli Ollila (samuli.ollila@helsinki.fi)
Date 01/10/2021
DOI 10.5281/zenodo.4643875
Publication Ferreira et al. Phys. Chem. Chem. Phys., 2013,15, 1976-1989
Force field Berger
Simulation length (ps) 50010
Trajectory size 3424404744
Pre-equilibration time 270
Time left out 0
Temperature (K) 298
Number of particles 28526
Software gromacs
Ions N/A
Water SOL
Lipids - L1 POPC (64)
Lipids - L2 POPC (64)
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Lower leaflet

Lipids


POPC
  • Quality total: 0.4977
  • Quality headgroups: 0.0277
  • Quality tails: 0.73275
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Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1021/acs.jctc.3c00648 10.1021/acs.jctc.3c00648/1 FF 300 View
10.1039/c2cp42738a 10.1039/c2cp42738a/1 OP 298 View
10.1021/acs.jpcb.4c04719 10.1021/acs.jpcb.4c04719/4 OP 298 View

Order Parameters POPC

Download JSON main

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 : 0.4977
OP Quality of headgroups: 0.0277
OP Quality of tails: 0.7328
FF Quality: 1.045

Bilayer thickness : 4.1 nm
Area per lipid : 66.9 Å2