From 37351185ac8d35003e8781f43a6a72990c99deeb Mon Sep 17 00:00:00 2001 From: GitHub Action Date: Thu, 22 Aug 2024 11:20:19 +0000 Subject: [PATCH] Update documentation --- _modules/transformato/state.html | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/_modules/transformato/state.html b/_modules/transformato/state.html index 90d4fbe6..8822297f 100644 --- a/_modules/transformato/state.html +++ b/_modules/transformato/state.html @@ -588,6 +588,16 @@

Source code for transformato.state

             shutil.copyfile(
                 omm_simulation_submit_script_source, omm_simulation_submit_script_target
             )
+            omm_init_energies_submit_script_source = (
+                f"{self.configuration['bin_dir']}/init_energies.sh"
+            )
+            omm_init_energies_submit_script_target = (
+                f"{intermediate_state_file_path}/init_energies.sh"  
+            )
+            shutil.copyfile(
+                omm_init_energies_submit_script_source, omm_init_energies_submit_script_target
+            )
+
 
         elif self.configuration["simulation"]["free-energy-type"] == "rbfe":
             # parse omm simulation paramter