Densflux

Usage Guide
  • Introduction

  • • Densflux analyzes the flux of ions-flow during your simulation runnig.

  • • The central vertical line of the output image like below is along the z-axis of simulation box and, the horizon axis of the image is x. The number and color of arrows stand for how many ions are and how fast ions flow.

    • test
    test
  • Output File Structure
  • • densflux.dat : Analysis data file.
  • • densflux.rz.gunplot.dat.png : Image file that visualizes the data file.
Input
PDB File

  • • Upload PDB file

  • • File size must be 100MB or less

XTC File

  • • Upload XTC file

  • • File size must be 100MB or less

Time-Step

  • • Input time-step parameter used for integration

Select Group

  • • Only if PDB and XTC are uploaded successfully, atom selection box is avilable

  • • Select atoms want to analize

  • • "NA" and "Na" produce entirely different outcomes because it finds atom by name. So, be careful when selecting atoms

Task List