BioSimSpace.Process.createProcess¶

BioSimSpace.Process.createProcess(system, protocol, engine, **kwargs)¶

Create a simulation process.

Parameters

system (System) – The molecular system.
protocol (Protocol) – The protocol for the process.
engine (str) – The name of the simulation engine.
kwargs (dict) – A dictionary of optional keyword arguments neeeded by the engine.

Returns

process – The process object for the specific simulation engine.

Return type