With this tutorial, it is expected of the reader to get a feel of the workflow needed to perform molecular dynamics (MD) simulations with the GROMACS software package (Abraham et al. 2015). Please note that, in this tutorial, the reader will not be performing the simulations per se since these are very time-consuming. However, you can check out the input files and investigate the final result that we have previously simulated. Additionally, you should install gromacs (in ubuntu you can just: sudo apt install gromacs) and replicate several of the scripts here presented. Please follow the workflow and inspect the content of each running script.(Sample)