diff --git a/projects/flow.gmx-lysozyme-in-water/project.py b/projects/flow.gmx-lysozyme-in-water/project.py index 22a7c2c..7f4c7fb 100644 --- a/projects/flow.gmx-lysozyme-in-water/project.py +++ b/projects/flow.gmx-lysozyme-in-water/project.py @@ -239,7 +239,9 @@ def grompp_md(job): @MyProject.pre.after(grompp_md) @MyProject.post(finished) -@MyProject.operation(cmd=True, directives={"nranks": 4, "omp_num_threads": 4}, with_job=True) +@MyProject.operation( + cmd=True, directives={"nranks": 4, "omp_num_threads": 4}, with_job=True +) def md(job): return _mdrun_str("md").format(job)