Trajectory 210

Order parameters quality = N/A

Computational methods Simulation metadata
System 22CHOL_200POPC_9000SOL_73CAL_146CLA_310K
Author(s) Javanainen, Matti
Date 05/10/2021
DOI 10.5281/zenodo.259376
Publication N/A
Force field CHARMM36 with incorrect multiplicity in dihedrals and ECC ions
Simulation length (ps) 800100
Trajectory size 1649773560
Pre-equilibration time 0
Time left out 0
Temperature (K) 310.15
Number of particles 55647
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 TIP3
Lipids - L1 CHOL:POPC (13:100)
Lipids - L2 CHOL:POPC (9:100)
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


CHOL
  • 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 CHOL

Download JSON main

Group tail

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 : 55.6 Å2