back_jump_prob*.py: Return normalization factors
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Add another column to the output file of the script `scripts/discretization/back_jump_prob.py` that contains the normalization factors used to calculate the back-jump probabilities. Multiplying the back-jump probabilities with the normalization factors yields the total number of back jumps.
Add a new command-line option `--norm-out` to the script `scripts/discretization/back_jump_prob_discrete.py` that allows the user to create another output file that contains the normalization factors used to calculate the back-jump probabilities. Multiplying the back-jump probabilities with the normalization factors yields the total number of back jumps.
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Use the new command-line option of the MDTool script `back_jump_prob_discrete.py`, `--norm-out`, to receive an output file with the normalization factors used to calculate the back-jump probabilities (see andthum/mdtools#201).
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…actors Use the new command-line option of the MDTool script `back_jump_prob_discrete.py`, `--norm-out`, to receive an output file with the normalization factors used to calculate the back-jump probabilities (see andthum/mdtools#201).
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back_jump_prob*.py: Return normalization factorsType of change
Proposed changes
scripts/discretization/back_jump_prob.py: Add another column to the output file containing the normalization factors used to calculate the back-jump probabilities.scripts/discretization/back_jump_prob_discrete.py: Add a new command-line option--norm-outthat allows the user to create another output file that contains the normalization factors used to calculate the back-jump probabilities.PR checklist