TPR files used for generating the data for analysis of "Maturation of the SARS-CoV-2 virus is regulated by dimerization of its main protease" paper. The names of the ZIP archives with the TPR files refer to the simulation systems description in Supplementary Table 1 of the paper. TPR files were generated with GROMACS 2020.1 simulation package for atomistic molecular dynamics simulations. The force field used is Amber ff14SB force-field for the protein and the salt ions, and TIP3P parameters for water. The rest of the description clarifying the details of the simulation runs is present in the methodology section of the accompanying manuscript.