Trajectory 805

Order parameters quality = 0.8051

Computational methods Simulation metadata
System 200POPC_8859SOL_300K_run_with_demond_convert_gromacs
Author(s) Milla Kurki (Lindström)
Date 08/04/2024
DOI 10.5281/zenodo.10183982
Publication N/A
Force field OPLS3e
Simulation length (ps) 499870
Trajectory size 9968773016
Pre-equilibration time 0
Time left out 100
Temperature (K) 300
Number of particles 53377
Software gromacs
Ions N/A
Water SPC
Lipids - L1 POPC (100)
Lipids - L2 POPC (100)
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Upper leaflet
Lower leaflet

Lipids


POPC
  • Quality total: 0.8051
  • Quality headgroups: 0.7309
  • Quality tails: 0.84215
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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 : 0.8051
OP Quality of headgroups: 0.7309
OP Quality of tails: 0.8422
FF Quality: 0.155

Bilayer thickness : 4.1 nm
Area per lipid : 66.5 Å2