Trajectory 32

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC_POPG_1:1_1000mMCaCL2
Author(s) Javanainen, Matti
Date 21/12/2021
DOI 10.5281/zenodo.3613573
Publication N/A
Force field Slipids
Simulation length (ps) 1000100
Trajectory size 2715109772
Pre-equilibration time 0
Time left out 500
Temperature (K) 298
Number of particles 72626
Software gromacs
Ions SOD(128), CAL(230), CLA(460), SOD(128), CAL(230), CLA(460), SOD(128), CAL(230), CLA(460), SOD(128), CAL(230), CLA(460), SOD(128), CAL(230), CLA(460), SOD(128), CAL(230), CLA(460), SOD(128), CAL(230), CLA(460), SOD(128), CAL(230), CLA(460), SOD(128), CAL(230), CLA(460), SOD(128), CAL(230), CLA(460), SOD(128), CAL(230), CLA(460), SOD(128), CAL(230), CLA(460), SOD(128), CAL(230), CLA(460), SOD(128), CAL(230), CLA(460), SOD(128), CAL(230), CLA(460), SOD(128), CAL(230), CLA(460), SOD(128), CAL(230), CLA(460)
Water SOL
Lipids - L1 POPC:POPG (64:64)
Lipids - L2 POPC:POPG (64:64)
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


POPG
  • 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 POPG

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

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 : 4.6 nm
Area per lipid : 54.7 Å2