diff --git a/arc/species/conformers.py b/arc/species/conformers.py index 86fef1ee75..22fb66e5e2 100644 --- a/arc/species/conformers.py +++ b/arc/species/conformers.py @@ -1216,7 +1216,7 @@ def get_force_field_energies_solvation(label: str, spc_dict['xyz'] = xyz spc_dict['multi_species'] = f'{label}_multi' content['species'].append(spc_dict) - save_yaml_file(path=ARC_child_path, content=content) + save_yaml_file(path=os.path.join(ARC_child_path, 'input.yml'), content=content) cmd = ['conda activate arc_env', f'python {ARC_PATH}/ARC.py {ARC_child_path}/input.yml'] stdout, stderr = execute_command(command=cmd, shell=True) if len(stderr) > 0 or len(stdout) == 0: