diff --git a/mdcrow/tools/base_tools/simulation_tools/create_simulation.py b/mdcrow/tools/base_tools/simulation_tools/create_simulation.py index 86edd2d6..143438c2 100644 --- a/mdcrow/tools/base_tools/simulation_tools/create_simulation.py +++ b/mdcrow/tools/base_tools/simulation_tools/create_simulation.py @@ -21,22 +21,22 @@ def _prompt_summary(self, query: str): raise ValueError("No language model provided at ModifyScriptTool") prompt_template = ( - "You're an expert programmer and in molecular dynamics. " + "You're an expert in programming and in molecular dynamics. " "Your job is to make a script to make a simulation " "in openmm. " - "Youre starting point is a base script that runs a protein on its own. " - "The protein itself doesnt require more preperation. " + "Your starting point is a base script that runs a protein on its own. " + "The protein itself doesn't require more preparation. " "The forcefields, integrator, and constraints are already set up for you. " - "You need to add lines to fullfill the user requirement. " + "You need to add lines to fulfill the user requirement. " "Your answer has to be the modified script. " "Your answer should be a python script. " - "Dont use ''' to comment out the code, use # instead. " + "Don't use ''' to comment out the code; use # instead. " "Describe your thoughts and changes before you start writing the script. " "The script will be rum as it is, so make it completely. " "The format should be as follows: " "THOUGHTS: (Your thoughts as an openmm expert with the base " "script and the query) \n" - "CHANGES:(what modifications youre doing to the script)\n " + "CHANGES:(what modifications you're doing to the script)\n " "SCRIPT: (The COMPLETE modified script)\n " "FINAL THOUGHTS: (Optional, Any final thoughts or comments\n " "you have about the script\n " @@ -64,8 +64,8 @@ class ModifyScriptInput(BaseModel): query: str = Field( ..., description=( - "simulation required by the user.You MUST " - "specify the objective, requirements of the simulation as well " + "simulation required by the user. You MUST " + "specify the objective, and requirements of the simulation as well " "as on what protein you are working." ), )