diff --git a/transformato/analysis.py b/transformato/analysis.py index 52517d3a..1dd78eb6 100644 --- a/transformato/analysis.py +++ b/transformato/analysis.py @@ -133,7 +133,7 @@ def _generate_openMM_system(self, env: str, lambda_state: int) -> Simulation: psf = AmberPrmtopFile(psf_file_path) # generate simulations object and set states if not isinstance(self.configuration["simulation"]["GPU"], bool): - if self.configuration["simulation"]["GPU"].upper() == "OPENCL": + if self.configuration["simulation"]["GPU"].upper() == "OPENCL": logger.info( "We are using the OpenCL platform for the analysis as specified in the yaml file" )