Trajectory 172

Order parameters quality = N/A

Computational methods Simulation metadata
System 50CHOL_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 1726373160
Pre-equilibration time 0
Time left out 0
Temperature (K) 310.15
Number of particles 57719
Software gromacs
Ions CAL(73), CLA(146)
Water TIP3
Lipids - L1 CHOL:POPC (27:100)
Lipids - L2 CHOL:POPC (23:100)
Files View on GitHub main
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 Link to simulation files
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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 : 4.8 nm
Area per lipid : 51.2 Å2