We need OpenMM reporters with atom_indices as input argument. - Githubissues

uibcdf / MolSysMT

Open source library to work with molecular systems

https://www.uibcdf.org/MolSysMT/

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

Open dprada opened 1 year ago

dprada commented 1 year ago

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