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Bugfix: factor of 2 for dihedrals and impropers in ligpargen
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@seamm seamm released this 29 Jun 21:22
· 7 commits to main since this release
2024.6.29.1
5b2eaa9
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GPG key ID: B5690EEEBB952194
Learn about vigilant mode.
  • The ligpargen tool was missing a factor of 2 in the dihedral and improper parameters.
  • Corrected the search paths for forcefields.
  • Improved the documentation.
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