Before revision: We present an algorithm to correct molecular dynamics non-equilibrium simulationsbased on the knowledge of time-dependent experimental data. This is inspired by a similar scheme used for equilibrium simulations , and is based on the principle of maximum caliber that guarantees that as little subjective information as possible is added to a model, besides the available experimental data.
After revision: Inferential methods can be used to integrate experimental informations and molecular simulations , and is based on the principle of maximum caliber that guarantees that as little subjective information as possible is added to a model, besides the available experimental data.