Parallelized Natural Extension Reference Frame: Parallelized Conversion from Internal to Cartesian Coordinates
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DOI: 10.1002/jcc.25772
Abstract: The conversion of polymer parameterization from internal coordinates (bond lengths, angles, and torsions) to Cartesian coordinates is a fundamental task in molecular modeling, often performed using the natural extension reference frame (NeRF) algorithm. NeRF can… read more here.
Keywords: natural extension; extension reference; conversion; cartesian coordinates ... See more keywords