diff --git a/docs/Scientific_Computing/Supported_Applications/GROMACS.md b/docs/Scientific_Computing/Supported_Applications/GROMACS.md index 7c885ca31..e4ab06059 100644 --- a/docs/Scientific_Computing/Supported_Applications/GROMACS.md +++ b/docs/Scientific_Computing/Supported_Applications/GROMACS.md @@ -121,7 +121,7 @@ ie: with `--ntasks` > 1. GROMACS is built with CUDA support, but that is optional to use - it will run without a GPU. -### MPI +## MPI If you do elect to use `gmx-mpi`, note that hybrid parallelisation (i.e. with `--cpus-per-task` > `1`) can be more efficient than MPI-only parallelisation. With hybrid parallelisation, it is important to run