From c8b8748d8077f0417cece8c4f8f7135e23569488 Mon Sep 17 00:00:00 2001 From: Jedd Bellamy-Carter Date: Sat, 26 Sep 2020 20:15:33 +0100 Subject: [PATCH] Update README.md --- md_scripts/README.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) 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: