Fix for torsion torsion initialization

plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp

@@ -752,7 +752,7 @@ void CudaCalcAmoebaTorsionTorsionForceKernel::initialize(const System& system, c
             for (unsigned int jj = 0; jj < grid[ii].size(); jj++) {
 
                 floatGrids[gridIndex][ii][jj].resize( grid[ii][jj].size() );
-                for (unsigned int kk = 0; kk < grid[ii][kk].size(); kk++) {
+                for (unsigned int kk = 0; kk < grid[ii][jj].size(); kk++) {
                     floatGrids[gridIndex][ii][jj][kk] = static_cast<float>(grid[ii][jj][kk]);
                 }
             }

plugins/amoeba/platforms/cuda/src/kernels/kCalculateAmoebaCudaRotateFrame.cu

@@ -15,6 +15,7 @@ using namespace std;
 
 static __constant__ cudaGmxSimulation cSim;
 static __constant__ cudaAmoebaGmxSimulation cAmoebaSim;
+extern __global__ void kFindInteractionsWithinBlocksPeriodic_kernel(unsigned int*);
 
 void SetCalculateAmoebaMultipoleForcesSim(amoebaGpuContext amoebaGpu)
 {

plugins/amoeba/platforms/cuda/src/kernels/kCalculateAmoebaCudaUtilities.h

@@ -9,7 +9,7 @@ __global__ void kReduceFieldsToFloat4_kernel( unsigned int fieldComponents, unsi
 
 extern __global__ void kFindBlockBoundsPeriodic_kernel();
 extern __global__ void kFindBlocksWithInteractionsPeriodic_kernel();
-extern __global__ void kFindInteractionsWithinBlocksPeriodic_kernel(unsigned int*);
+//extern __global__ void kFindInteractionsWithinBlocksPeriodic_kernel(unsigned int*);
 
 
 extern __global__ void kFindBlocksWithInteractionsVdwPeriodic_kernel();