Trajectory 182

Order parameters quality = N/A

Computational methods Simulation metadata
System 150POPC_150POPG_29865SOL_569CAL_1138CLA_150SOD_298K
Author(s) Virtanen, Salla; Ollila, O. H. Samuli
Date 03/01/2022
DOI 10.5281/zenodo.3864993
Publication N/A
Force field Lipid17
Simulation length (ps) 200020
Trajectory size 4855025880
Pre-equilibration time 520
Time left out 0
Temperature (K) 298
Number of particles 130602
Software gromacs
Ions CAL(569), CLA(1138), SOD(150), CAL(569), CLA(1138), SOD(150), CAL(569), CLA(1138), SOD(150), CAL(569), CLA(1138), SOD(150), CAL(569), CLA(1138), SOD(150), CAL(569), CLA(1138), SOD(150), CAL(569), CLA(1138), SOD(150), CAL(569), CLA(1138), SOD(150), CAL(569), CLA(1138), SOD(150), CAL(569), CLA(1138), SOD(150), CAL(569), CLA(1138), SOD(150), CAL(569), CLA(1138), SOD(150), CAL(569), CLA(1138), SOD(150), CAL(569), CLA(1138), SOD(150), CAL(569), CLA(1138), SOD(150), CAL(569), CLA(1138), SOD(150), CAL(569), CLA(1138), SOD(150)
Water SOL
Lipids - L1 POPC:POPG (75:76)
Lipids - L2 POPC:POPG (75:74)
Files View on GitHub main
 Download PDB File
 Link to simulation files
Hover over a component to view composition data.
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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 : 4.7 nm
Area per lipid : 53.2 Å2