To quantify the discrepancy between the RDFs obtained from the simulations of the models vs. the experimental ones from liquid water (at various temperatures), we introduced a scoring function based on the Earth mover's distance (EMD) or Wasserstein distance. The Wasserstein distance is a measure of the dissimilarity between two probability distributions, based on the concept of optimal transport. It represents the minimum cost of transforming one distribution into the other, where the cost is proportional to the distance between pairs of points. In our case, we used the Wasserstein distance to compare the simulated RDFs with the experimental RDFs, with the distance matrix representing the differences between the radial distance of the bins of the distributions. In our work, we modified the standard computation of the Wasserstein distance by using the square of the distance matrix instead of the distance itself. Such a modification allowed to better account (weights more) the difference between the g(r) at larger distance, which is important for capturing the long-range behavior of the water-water interactions and to avoid overfitting on short-range interactions.