Trajectory 282

Order parameters quality = N/A

Computational methods Simulation metadata
System 200POPC_9000SOL_73CAL_146CLA_310K_ECC-scaled ions
Author(s) Javanainen, Matti
Date 12/10/2021
DOI 10.5281/zenodo.45007
Publication N/A
Force field Slipids for lipids, Kohagen for CaCl_2
Simulation length (ps) 100100
Trajectory size 200258044
Pre-equilibration time 500
Time left out 0
Temperature (K) 310
Number of particles 54019
Software gromacs
Ions CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146)
Water SOL
Lipids - L1 POPC (100)
Lipids - L2 POPC (100)
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 : 4.5 nm
Area per lipid : 59.4 Å2