Trajectory 117

Order parameters quality = N/A

Computational methods Simulation metadata
System 100POPC_70DHMDMAB_6214SOL_50CLA_313K
Author(s) Ollila, O. H. Samuli
Date 03/01/2022
DOI 10.5281/zenodo.1020671
Publication N/A
Force field Lipid14
Simulation length (ps) 180010
Trajectory size 2641408236
Pre-equilibration time 20
Time left out 0
Temperature (K) 313
Number of particles 39602
Software gromacs
Ions CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70), CLA(70)
Water SOL
Lipids - L1 POPC:DHMDMAB (50:34)
Lipids - L2 POPC:DHMDMAB (50:36)
Files View on GitHub main
 Download PDB File
 Link to simulation files
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Upper leaflet
Lower leaflet

Lipids


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

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters DHMDMAB

Download JSON main

Group sn-1

Group sn-2

Group headgroup

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 : 4.1 nm
Area per lipid : 55.6 Å2