diff --git a/md_scripts/README.md b/md_scripts/README.md index 9332356..f77b2de 100644 --- a/md_scripts/README.md +++ b/md_scripts/README.md @@ -5,7 +5,8 @@ A set of scripts for performing consistent gas-phase MD simulations of protein s ## Usage Perform **`chargePlacer`** calculations on an initial PDB file (`protein_init.pdb`) and generate the corresponding `proton_sites.txt` file for a given charge state. Copy the contents of this folder into the same directory as `protein_init.pdb` and `proton_sites.txt`. Then run: -```bash ./gmx_command_list.sh +``` +bash ./gmx_command_list.sh ``` This will iterate through the following steps automatically: