MD fine-tuning: short parallel simulations Generally, we expect reweighting to align the generated ensemble more closely to the target Boltzmann distribution. However, the ensemble still misses two fundamental ingredients in our implementation: stochastic fluctuations in the local structure and the coupling of these fluctuations with the rotatable bonds. We hypothesize that these two features can be recovered in short simulations. Therefore, we run parallel simulations on the reweighted ensemble using the REFORM library extending OpenMM . For the experiments performed in this work, we run 1 ns simulations per sample.