Chemistry, Computational Chemistry, Molecular Dynamics, Gromacs, Programming.
run GROMACS, just double click the bat file and it will open a command prompt window where you can run GROMACS. Type gmx and press enter; you should see something like this: GROMACS is running! For MPI-parallel builds, you will have to use the MS-MPI mpiexec command to kick off the binary. So, if