I am new in Molecular dynamic (MD) simulation and try to quickly acquire some radial distribution functions for liquid mixtures at different concentrations, what is the best software for that? Has anyone used XenoView and is its results reliable for publishing?
Never used XenoView, however, checking the site reviles that the last software version is from 2008 - You should use a better maintained software.
You can always calculate the RDF directly using LAMMPS:
https://docs.lammps.org/compute_rdf.html
I suggest VMD, it has a great RDF plugin - with GPU support. However you can other analysis packages, e.g. PyMol/MDAnalysis/OVITO - all have a function to calculate RDFs.
https://www.ks.uiuc.edu/Research/vmd/plugins/gofrgui/
https://docs.mdanalysis.org/2.0.0/documentation_pages/analysis/rdf.html?highlight=rdf#module-MDAnalysis.analysis.rdf
https://www.ovito.org/docs/current/reference/pipelines/modifiers/coordination_analysis.html
+1 voice for VMD.
Also, you could consider TRAVIS (Trajectory analyzer and visualizer). TRAVIS have no GUI but I found it more flexible and versital for some of the purposes
- Badges
- Science topic
- Similar topics
- Data Mining
- Classification