Trajectory 585

Order parameters quality = N/A

Computational methods Simulation metadata
System 150POPC_150POPG_31401SOL_57CAL_114CLA_150SOD_298K
Author(s) Virtanen, Salla; Ollila, O. H. Samuli
Date 03/01/2022
DOI 10.5281/zenodo.3871590
Publication N/A
Force field Lipid17
Simulation length (ps) 198020
Trajectory size 4894031676
Pre-equilibration time 520
Time left out 0
Temperature (K) 298
Number of particles 133674
Software gromacs
Ions CAL(57), CLA(114), SOD(150), CAL(57), CLA(114), SOD(150), CAL(57), CLA(114), SOD(150), CAL(57), CLA(114), SOD(150), CAL(57), CLA(114), SOD(150), CAL(57), CLA(114), SOD(150), CAL(57), CLA(114), SOD(150), CAL(57), CLA(114), SOD(150), CAL(57), CLA(114), SOD(150), CAL(57), CLA(114), SOD(150), CAL(57), CLA(114), SOD(150), CAL(57), CLA(114), SOD(150), CAL(57), CLA(114), SOD(150), CAL(57), CLA(114), SOD(150), CAL(57), CLA(114), SOD(150), CAL(57), CLA(114), SOD(150), CAL(57), CLA(114), SOD(150)
Water SOL
Lipids - L1 POPC:POPG (75:77)
Lipids - L2 POPC:POPG (75:73)
Files View on GitHub main
 Download PDB File
 Link to simulation files
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Upper leaflet
Lower leaflet

Lipids


POPG
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main

Related experiments:

Article DOI Internal ID Type Temperature Actions

Order Parameters POPG

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

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 : N/A
OP Quality of headgroups: N/A
OP Quality of tails: N/A
FF Quality: N/A

Bilayer thickness : 4.5 nm
Area per lipid : 57.4 Å2