diff --git a/README.md b/README.md index 08dd24f..91b5fcb 100644 --- a/README.md +++ b/README.md @@ -15,7 +15,7 @@ from openfe_analysis import FEReader # a "simulation.nc" file contains multiple replicas, so we must choose which of these we load # provide either a state (following a single lambda state) or replica (following a particular replica) id (typically 0-10) -u = mda.Universe('hybrid_system.pdb', 'simulation.nc', format=FEReader, state=0) +u = mda.Universe('hybrid_system.pdb', 'simulation.nc', format=FEReader, state_id=0) ``` For example to convert your trajectory to a different format for visualisation: