LambdaActivation ---------------- The LambdaActivation step controls the lambda parameter for alchemical transformations or free energy calculations. It allows for gradual changes in lambda according to a predefined schedule. ---- * **type**: ``FlowControl``, ``LambdaActivation`` * **parameters**: * ``lambdaValueStep``: ``int``: Number of steps between lambda value changes * ``lambdaValues``: ``real[]``: List of lambda values to cycle through Example: .. code-block:: "lambdaActivation":{ "type":["FlowControl","LambdaActivation"], "parameters":{ "lambdaValueStep": 1000, "lambdaValues": [0.0, 0.2, 0.4, 0.6, 0.8, 1.0] } } .. note:: This step is useful for free energy calculations and alchemical transformations. .. warning:: Ensure that your forcefield and integrator support lambda-dependent interactions when using this step.