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pAPRika v1.2.0

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@jeff231li jeff231li released this 26 Oct 21:49
· 64 commits to master since this release
v1.2.0
547f59a
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This release adds minor new features and bug fixes to the paprika code.

  • Integrate OpenFF-units (a wrapper for Pint units) used in DAT_restraints.
  • Enhances the restraints/openmm module to include centroid-based anchor atom selection.
  • Updates the analysis module for pymbar v4.0
  • Minor bug fixes
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