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Set tolerance to 5 for non-topoaa modules #1004
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amjjbonvin
merged 9 commits into
haddocking:main
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i-VRESSE:tolerance-default-topoaa-emscoring
Sep 10, 2024
Merged
Set tolerance to 5 for non-topoaa modules #1004
amjjbonvin
merged 9 commits into
haddocking:main
from
i-VRESSE:tolerance-default-topoaa-emscoring
Sep 10, 2024
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rvhonorato
added
parameters-topologies
Issues/feature requests related to the force field
m|emscoring
Related to emscoring module
m|topoaa
topoaa module
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Sep 6, 2024
The tolerance for topoaa should remain 0 otherwise the entire workflow might fail / not do what is expected. |
All tolerance parameter have default of 5 except topoaa which stays at 0. |
sverhoeven
changed the title
Set tolerance to 10 for topoaa and emscoring modules
Set tolerance to 5 for non-topoaa modules
Sep 6, 2024
AnnaKravchenko
approved these changes
Sep 6, 2024
amjjbonvin
approved these changes
Sep 6, 2024
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Labels
m|emscoring
Related to emscoring module
m|topoaa
topoaa module
parameters-topologies
Issues/feature requests related to the force field
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runpython run_tests.py -b
As discussed at i-VRESSE/haddock3-webapp#140 (comment) change the default of tolerance so users with easy expertise level have a successful run.