Abstract:The NAST force field is a popular tool for modeling RNA and is typical of low-resolution approaches. Unfortunately, some combinations of bond and dihedral angles can reach cliffs on the energy landscape which lead to numerical disasters. We describe changes to the formulation (NAST improved, NASTI) which smooth the dihedral energy term when neighboring angles become flat. We also improved the fit to experimental structures by replacing the harmonic term for the backbone angles with spline functions and using a… Show more
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