From e1ab64cf1c61e1c481e8d1752dbdbac7ad2b628f Mon Sep 17 00:00:00 2001 From: Sam Cox Date: Thu, 1 Feb 2024 10:15:26 -0800 Subject: [PATCH] typo in setup run --- mdagent/tools/base_tools/simulation_tools/setup_and_run.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mdagent/tools/base_tools/simulation_tools/setup_and_run.py b/mdagent/tools/base_tools/simulation_tools/setup_and_run.py index 9a768aba..19ffaac6 100644 --- a/mdagent/tools/base_tools/simulation_tools/setup_and_run.py +++ b/mdagent/tools/base_tools/simulation_tools/setup_and_run.py @@ -317,8 +317,8 @@ def _setup_and_run_simulation(self, query, PathRegistry): ] Forcefield = Forcefield_files[0] Water_model = Forcefield_files[1] - print("Setting up forcields :", Forcefield, Water_model) - st.markdown("Setting up forcields", unsafe_allow_html=True) + print("Setting up forcefields :", Forcefield, Water_model) + st.markdown("Setting up forcefields", unsafe_allow_html=True) # check if forcefields end in .xml if Forcefield.endswith(".xml") and Water_model.endswith(".xml"): forcefield = ForceField(Forcefield, Water_model)