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pAPRika v1.0.4

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@jeff231li jeff231li released this 18 Aug 15:34
· 340 commits to master since this release
v1.0.4
56d8f6f
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Learn about vigilant mode.
  • Refactor codes for setup.py and analysis.py modules to allow a smoother integration with OpenFF-Evaluator
  • OpenMM restraints code is now decoupled from setup.py and placed in a separate file restraints/openmm.py
  • Updated install requirements to Ambertools v20
  • Added hydrogen mass repartitioning option to TLeap API module
  • Minor bug fixes
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