From bcb56e2d79d4e039f21de0339e13dcdc086b16bb Mon Sep 17 00:00:00 2001 From: Ethan Holz Date: Thu, 19 Mar 2026 14:07:56 -0600 Subject: [PATCH] Fix command path in CLI tutorial for quickrun Updated command path for running a simulation in the tutorial. --- rbfe_tutorial/cli_tutorial.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/rbfe_tutorial/cli_tutorial.md b/rbfe_tutorial/cli_tutorial.md index 13512b5..4c914dc 100644 --- a/rbfe_tutorial/cli_tutorial.md +++ b/rbfe_tutorial/cli_tutorial.md @@ -213,7 +213,7 @@ where To run one simulation from the tutorial data, a command might look like: ```bash -openfe quickrun transformations/rbfe_lig_ejm_31_solvent_lig_ejm_42_solvent.json -o results/rbfe_lig_ejm_31_solvent_lig_ejm_42_solvent.json -d results/rbfe_lig_ejm_31_solvent_lig_ejm_42_solvent/ +openfe quickrun network_setup/transformations/rbfe_lig_ejm_31_solvent_lig_ejm_42_solvent.json -o results/rbfe_lig_ejm_31_solvent_lig_ejm_42_solvent.json -d results/rbfe_lig_ejm_31_solvent_lig_ejm_42_solvent/ ``` When running a complete network of simulations, it is important to ensure that the file name for the result JSON and name of the working directory are different for each leg and each repeat, otherwise you'll overwrite results.