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    • Mark Friedrichs's avatar
      dded GB/VI to Cuda platform · 7a36f461
      Mark Friedrichs authored
      Free energy plugin added
      Plugin will not run w/ Obc or GB/VI forces unless line 2004 of gpu.cpp (gpu->sim.totalNonbondOutputBuffers  = 2*gpu->sim.nonbondOutputBuffers;) is commented in -- working on removing this constraint
      Also unit tests for GB/VI currently fail 
      7a36f461
  29. 28 Oct, 2009 1 commit