1. Are you looking for the probability distribution? Then you can get the histograms using Xmgrace. Load the xvg file (e.g., rmsd.xvg) and go to Data -> Transformations -> Histograms. Also, you can separately do that using matplotlib or seaborn modules of Python.
2. For calculating the secondary structure of the protein, you can use gmx dssp command. For more information please visit the following link: https://manual.gromacs.org/current/onlinehelp/gmx-dssp.html
Hi Dr. Kopec, Thank you for your reply. I want to draw a density distribution graph of the protein-ligand interaction study as depicted in the following reference.
Article Atomic Resolution Homology Models and Molecular Dynamics Sim...