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Bugfix: factor of 2 for dihedrals and impropers in ligpargen #36

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merged 5 commits into from
Jun 29, 2024
Merged

Bugfix: factor of 2 for dihedrals and impropers in ligpargen #36

merged 5 commits into from
Jun 29, 2024

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paulsaxe
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  • The ligpargen tool was missing a factor of 2 in the dihedral and improper parameters.
  • Corrected the search paths for forcefields.
  • Improved the documentation

@paulsaxe paulsaxe added the bug Something isn't working label Jun 29, 2024
@paulsaxe paulsaxe requested a review from seamm June 29, 2024 21:18
seamm
seamm approved these changes Jun 29, 2024
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LGTM

@seamm seamm merged commit 5b2eaa9 into main Jun 29, 2024
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@seamm seamm seamm approved these changes

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@paulsaxe @seamm