From 001cd17b22052f95ceef5ee74e230ed1f186ea55 Mon Sep 17 00:00:00 2001 From: Harry Swift Date: Fri, 29 May 2026 10:50:11 +0100 Subject: [PATCH] Update trajectory file names in getting_started.rst --- docs/getting_started.rst | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/getting_started.rst b/docs/getting_started.rst index ff9ef21..feaa2e2 100644 --- a/docs/getting_started.rst +++ b/docs/getting_started.rst @@ -296,7 +296,7 @@ Create or edit ``config.yaml`` in your working directory: --- run1: - top_traj_file: ["1AKI_prod.tpr", "1AKI_prod.trr"] + top_traj_file: ["1AKI_prod_new.tpr", "1AKI_prod_new.trr"] selection_string: 'all' start: 0 end: 500 @@ -317,7 +317,7 @@ Run (equivalent CLI): .. code-block:: bash cd /path/to/lysozyme_example - CodeEntropy --top_traj_file 1AKI_prod.tpr 1AKI_prod.trr --temperature 300.0 --selection_string all --start 0 --end 500 --step 1 --verbose + CodeEntropy --top_traj_file 1AKI_prod_new.tpr 1AKI_prod_new.trr --temperature 300.0 --selection_string all --start 0 --end 500 --step 1 --verbose