diff --git a/simulation_control_files/abfe_mdps/README.md b/simulation_control_files/abfe_mdps/README.md index 38ded4e..831a0ae 100644 --- a/simulation_control_files/abfe_mdps/README.md +++ b/simulation_control_files/abfe_mdps/README.md @@ -11,6 +11,7 @@ Waals interactions, and `restraints` the addition of orientational restraints. The directories for each step have the following tree structure: +``` step ├── em │   └── em.mdp @@ -22,7 +23,7 @@ step │   └── npt-norest.mdp └── prod └── prod.mdp - +``` Each sub-directory refers to the following: