Trajectory 133

Order parameters quality = N/A

Computational methods Simulation metadata
System 128POPC_6400SOL_35CAL_70CLA_298K
Author(s) Girych, Mykhailo; Ollila, Samuli
Date 03/01/2022
DOI 10.5281/zenodo.5592698
Publication N/A
Force field Lipid14 for lipids and AMBER99SB-ILDN for ions
Simulation length (ps) 100000
Trajectory size 1350116696
Pre-equilibration time 105
Time left out 0
Temperature (K) 298.15
Number of particles 36457
Software gromacs
Ions CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70)
Water SOL
Lipids - L1 POPC (64)
Lipids - L2 POPC (64)
Files View on GitHub main
 Download PDB File
 Link to simulation files
Hover over a component to view composition data.
Upper leaflet
Lower leaflet

Lipids


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 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 : 4.3 nm
Area per lipid : 61 Å2