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  1. Rounding-to-significant-digit Rounding-to-significant-digit Public

    Rounding of uncertainties and measurement values to significant digit as specified by DIN1333

  2. cpptraj-H-bond-analysis-difference cpptraj-H-bond-analysis-difference Public

    Calculates change of H bond frequency (stability), average angle and average distance from cpptraj hbond output files and creates a sortable, color coded excel table. The Alignkeys submodule was cr…

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