Finally, it is worth noting that the characterization obtained from such analysis could be extremely helpful to design and perform enhanced sampling simulations. Indeed, this automatic analysis can help in understanding the complex dynamic nature of these supramolecular polymers, revealing the presence of intermediate states that characterize the exchange between monomer states within the assembly. Therefore, it can provide a precious guideline to understand how to properly bias the system to sample and explore these transitions by an appropriate choice of collective variables (e.g., in metadynamics simulations), which is another direction that is currently attracting considerable interest.