As described in the main text, here is the input data used for simulation, as well as analysis directories. The archive was generated in my project folder with "tar --exclude=*trr --exclude=pbctools --exclude=qtwrap --exclude=old* --exclude=*npz --exclude=*pdf --exclude=*png --exclude=*ppm --exclude=*dcd* --exclude=*xtc --exclude=*slurm* --exclude=core* --exclude=*sh --exclude=*xvg --exclude=*out --exclude=*git* --exclude=*edr --exclude=*log --dereference -zcvf kulke-$(date +"%F").tar.gz data figures scripts Simulations". Big data and trajectory files were excluded to keep the archive size small. The archive includes all necessary files to reproduce the simulations, analysis and figures for the publication.