A third not often taken option is to restrain the simulation not to the full information contained in the phase-space, but concentrate the simulation on a certain kind and leave all other information aside. In every case a certain amount of information costs a certain amount of computational ressources, we will follow the third option and try to intelligently design a set of short simulations, that will give a maximum of information about a specific, preselected information about the system. This, of course, has the drawback, that the gained information might be of lesser use for other problems.
To achieve a guidance of the simulation without interfering or biasing, we divide the available simulation into chunks of short trajectories (s. \prettyref{fig:enhancedSampling}). Each of this simulation parameters are chosen carefully, to maximize the information in the target property.
The Adaptive Cycle consists of four steps, that are applied until a certain amount of convergence of the target property is achieved. Given a first trajectory as input :
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