Throw an exception if the user includes a GBSAOBCForce but no NonbondedForce (bug 1083)

platforms/cuda/src/CudaKernels.cpp

@@ -27,6 +27,7 @@
 #include "CudaKernels.h"
 #include "openmm/LangevinIntegrator.h"
 #include "openmm/Context.h"
+#include "openmm/OpenMMException.h"
 #include "openmm/internal/ContextImpl.h"
 #include "openmm/internal/NonbondedForceImpl.h"
 #include "kernels/gputypes.h"
@@ -759,6 +760,8 @@ void OPENMMCUDA_EXPORT OpenMM::cudaOpenMMInitializeIntegration(const System& sys
     if (!data.hasNonbonded) {
         gpuSetCoulombParameters(gpu, (float) ONE_4PI_EPS0, vector<int>(), vector<float>(), vector<float>(), vector<float>(), vector<char>(), vector<vector<int> >(), NO_CUTOFF);
         gpuSetLJ14Parameters(gpu, (float) ONE_4PI_EPS0, 1.0f, vector<int>(), vector<int>(), vector<float>(), vector<float>(), vector<float>(), vector<float>());
+        if (gpu->bIncludeGBSA || gpu->bIncludeGBVI)
+            throw OpenMMException("CudaPlatform requires GBSAOBCForce and GBVIForce to be used with a NonbondedForce");
     }
     
     // Set masses.