Parametrizer including Dihedralparametrizer are the first steps in the predictive multiscale modeling approach and parametrize single molecules on a quantum-mechanical level. The Parametrizer module optimizes molecular geometries and calculates non-bonded interaction parameters for classical simulations (e.g. Deposit) and the DihedralParametrizer generates customized dihedral force fields for flexible molecules.
Read the Parametrizer Product Specifications for further information.
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