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Move MDP writing to their own utilities #31

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Tracked by #47
IAlibay opened this issue Sep 24, 2024 · 0 comments · Fixed by #47
Closed
Tracked by #47

Move MDP writing to their own utilities #31

IAlibay opened this issue Sep 24, 2024 · 0 comments · Fixed by #47
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@hannahbaumann
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@IAlibay
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IAlibay commented Sep 24, 2024

The MDP writers should sit in a separate utility, it will make it easier to test & re-use.
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Move things to utils, test interchange creation OpenFreeEnergy/openfe-gromacs
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@IAlibay @hannahbaumann