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    • Jason Swails's avatar
      Add support for flexibleConstraints to ForceField.createSystem · cc03f111
      Jason Swails authored
      There are times when it is helpful to have the energy terms actually
      added to the System even if that degree of freedom is constrained. Other
      parsers (notably the Amber parsers) already support this keyword, so add
      that support to ForceField as well
      
      This also replaces some string-based element detection algorithms with
      whatever the PDB parser does (by comparing directly to atom.element)
      cc03f111
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