We used a recently developed variant of metadynamics to enforce reference distributions obtained from the PDB on molecular dynamics simulations of RNA dinucleotides. The resulting force field does not improve the performance of RNA force fields in generic cases, and thus is not transferrable. However, our results highlight a potential deficiency of latest AMBER force field for RNA, making a step forward in the development of a more robust force field.

Results have been published on the Journal of Chemical Theory and Computation. A preprint is available on arXiv.

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