Trajectory 538

Order parameters quality = N/A

Computational methods Simulation metadata
System POPCPOPG(1:1)200mMCaCl2
Author(s) Javanainen, Matti
Date 04/10/2021
DOI 10.5281/zenodo.3613573
Publication N/A
Force field Slipids
Simulation length (ps) 1000100
Trajectory size 2686919160
Pre-equilibration time 0
Time left out 500
Temperature (K) 298
Number of particles 72074
Software gromacs
Ions CLA(92), CAL(46), SOD(128)
Water SOL
Lipids - L1 POPG:POPC (64:64)
Lipids - L2 POPG:POPC (64:64)
Files View on GitHub main
 Download PDB File
 Link to simulation files
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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 : 4.5 nm
Area per lipid : 56.9 Å2