Molecular Dynamics, Cheminformatics, Biophysics, DevOps, Github Actions.
sudo make install echo 'source /usr/local/gromacs/bin/GMXRC' >> $HOME/.bashrc source $HOME/.bashrc - name: Prepare Input Files run: | cp simulation/input_files/NVT.mdp . cp simulation/input_files/NPT.mdp . cp simulation/input_files/MD.mdp . cp simulation/input_files/EM.gro . cp