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  1. NAMD-analysis-tools NAMD-analysis-tools Public

    Python scripts for identification of coordinates defining reactivity of NAMD trajectories

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  2. Interface-between-OpenMolcas-and-Gamess Interface-between-OpenMolcas-and-Gamess Public

    OpenMolcas and GAMESS-US/Tinker interface that enables the REKS NAMD simulations

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    The script enabling on-the-fly tracking of active space stability during MD simulations in Molcas/OpenMolcas

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