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We need OpenMM reporters with atom_indices as input argument. #106

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dprada opened this issue Oct 17, 2023 · 0 comments

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Sobre Interfaz Gráfica

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dprada commented Oct 17, 2023

For example, the HDF5Reporter from MDTraj has the input argument 'atomSubset'.

dprada added the Sobre Interfaz Gráfica label

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