Add functionality for traj-readers to return atom_types if available
Add functionality for traj-readers to return atom_types if available.
This can be used to specify atomic_indices
.
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add atom_types to ReaderFrame -
Test that trajectory works with atomic_indices="from_trajectory"
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Add a way to distinguish between "from_trajectory"
and index filenames see here -
Add a note that gen-gromacs index file function gromacs.
Edited by Esmée Berger