A Suite of Advanced Tutorials for the GROMOS Biomolecular Simulation Software

This repository contains a collection of files accompanying the suite of GROMOS tutorials described in a LiveCoMS publication. The final pdf version of the manuscript can be found in the releases directory. The corresponding source files are located in published_MS. Each subdirectory in the directory tutorial_files contains all files necessary for completing each of the three tutorials described in the manuscript. An updated version of the manuscript containing a fourth tutorial can be found in version_1.1. The tutorials are designed for users with some experience in the application of molecular dynamics simulations. Therefore, we suggest to carry out the basic tutorial first, that is available on www.gromos.net. The GROMOS version required for carrying out the advanced tutorials was released on January 09, 2021.