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Variable numbers of atoms between frames #89

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hmacdope opened this issue Oct 6, 2021 · 0 comments
Open

Variable numbers of atoms between frames #89

hmacdope opened this issue Oct 6, 2021 · 0 comments
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@hmacdope
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hmacdope commented Oct 6, 2021

In theory TNG files can have variable numbers of atoms between frames eg from a grand canonical simulation. This is indicated by a flag in the TNG file

typedef enum
{
    TNG_CONSTANT_N_ATOMS,
    TNG_VARIABLE_N_ATOMS
} tng_variable_n_atoms_flag;

While this is not supported upstream by MDA, we should look into whether introducing this is worth it for completeness sake.

@hmacdope hmacdope self-assigned this Oct 6, 2021
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