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use store="time" #303

Merged
merged 1 commit into from
Jul 26, 2024
Merged

use store="time" #303

merged 1 commit into from
Jul 26, 2024

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PythonFZ
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with MDAnalysis/mdanalysis#4615 MDAnalyis only supports store=time.
This is also testes here https://github.com/zincware/ZnH5MD/blob/e3f08c2a57355a853e66c51150b9a919060ddb2b/tests/test_mda.py#L19

Most files that we generate will not be analyzed through MDAnalysis but the trajectory files are an exception. As long as MDAnalysis does not support fixed time / step information I'd suggest using this configuration and accept that it will produce slightly larger files for the convenience of being able to analyze them more easily.

@PythonFZ PythonFZ merged commit b01e5f5 into main Jul 26, 2024
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@PythonFZ PythonFZ deleted the PythonFZ-patch-1 branch July 26, 2024 14:45
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2 participants