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  1. 24 May, 2017 1 commit
    • 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
  3. 22 May, 2017 1 commit
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