1. 04 May, 2014 1 commit
  2. 10 Apr, 2014 1 commit
    • Jason Swails's avatar
      Add a couple unittests for CHARMM files. Good thing, too, because they helped · 31f09353
      Jason Swails authored
      pick up some bugs that were not caught in my initial test following the port
      from ParmEd.
      
      All 4 tests pass right now, although no periodic systems are being tested.
      Currently CHARMM, XPLOR, and VMD tests are all being run (for the same ala-3
      system).
      
      Disable implicit solvent tests, since there is no robust radii assignment
      routine yet (the radii are stored in the Amber topology file).  I will port my
      assignment routine from ParmEd here shortly and then re-enable the GB tests.
      31f09353
  3. 02 Oct, 2013 1 commit
  4. 01 Aug, 2013 1 commit