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Fix restrict_to_submodel iterating over therm states instead of trajectories - #323

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clonker merged 1 commit into
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fix_tram_restrict_to_submodel
Mar 29, 2026
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clonker merged 1 commit into
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fix_tram_restrict_to_submodel

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@clonker clonker commented Mar 29, 2026

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When ttrajs are provided (replica exchange), n_therm_states can differ from len(dtrajs). The loop in restrict_to_submodel was using n_therm_states, which would skip trajectories or cause an IndexError.

Fixes #299

…ctories

When ttrajs are provided (replica exchange), n_therm_states can differ
from len(dtrajs). The loop in restrict_to_submodel was using
n_therm_states, which would skip trajectories or cause an IndexError.
@clonker
clonker merged commit 77b8dd4 into main Mar 29, 2026
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clonker deleted the fix_tram_restrict_to_submodel branch March 29, 2026 15:55
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restrict_to_submodel in TRAMDataset

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