Added message regarding issue w/ disulfide bonds

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

@@ -701,8 +701,9 @@ void cudaComputeAmoebaMapTorques( amoebaGpuContext amoebaGpu, CUDAStream<float>*
     // check that BLOCK_SIZE >= amoebaGpu->maxMapTorqueDifference
 
     if( amoebaGpu->maxMapTorqueDifference > BLOCK_SIZE ){
-        (void) fprintf( amoebaGpu->log, "cudaComputeAmoebaMapTorques: block size (%d) in amoebaMapTorqueReduce_kernel is too small ( > %d)! -- aborting.\n",
-                        BLOCK_SIZE, amoebaGpu->maxMapTorqueDifference );
+        (void) fprintf( amoebaGpu->log, "cudaComputeAmoebaMapTorques: block size (%d) in amoebaMapTorqueReduce_kernel is too small ( > %d)! -- aborting.\n"
+                        "This is likely due to the presence of disulfide bond or other bond between atoms whose indices is greater than %d; this limitation will be removed w/ the next software update.\n",
+                        BLOCK_SIZE, amoebaGpu->maxMapTorqueDifference, BLOCK_SIZE );
         exit(-1);  
     }
 
@@ -871,8 +872,9 @@ void cudaComputeAmoebaMapTorquesAndAddTotalForce( amoebaGpuContext amoebaGpu,
     // check that BLOCK_SIZE >= amoebaGpu->maxMapTorqueDifference
 
     if( amoebaGpu->maxMapTorqueDifference > BLOCK_SIZE ){
-        (void) fprintf( amoebaGpu->log, "cudaComputeAmoebaMapTorquesAndAddTotalForce: block size (%d) in amoebaMapTorqueReduce_kernel is too small ( > %d)! -- aborting.\n",
-                        BLOCK_SIZE, amoebaGpu->maxMapTorqueDifference );
+        (void) fprintf( amoebaGpu->log, "cudaComputeAmoebaMapTorquesAndAddTotalForce: block size (%d) in amoebaMapTorqueReduce_kernel is too small ( > %d)! -- aborting.\n"
+                        "This is likely due to the presence of disulfide bond or other bond between atoms whose indices is greater than %d; this limitation will be removed w/ the next software update.\n",
+                        BLOCK_SIZE, amoebaGpu->maxMapTorqueDifference, BLOCK_SIZE );
         exit(-1);  
     }
 
@@ -1073,8 +1075,9 @@ void cudaComputeAmoebaMapTorquesAndAddTotalForce2( amoebaGpuContext amoebaGpu,
     // check that BLOCK_SIZE >= amoebaGpu->maxMapTorqueDifference
 
     if( amoebaGpu->maxMapTorqueDifference > BLOCK_SIZE ){
-        (void) fprintf( amoebaGpu->log, "cudaComputeAmoebaMapTorquesAndAddTotalForce2: block size (%d) in amoebaMapTorqueReduce_kernel is too small ( > %d)! -- aborting.\n",
-                        BLOCK_SIZE, amoebaGpu->maxMapTorqueDifference );
+        (void) fprintf( amoebaGpu->log, "cudaComputeAmoebaMapTorquesAndAddTotalForce2: block size (%d) in amoebaMapTorqueReduce_kernel is too small ( > %d)! -- aborting.\n"
+                        "This is likely due to the presence of disulfide bond or other bond between atoms whose indices is greater than %d; this limitation will be removed w/ the next software update.\n",
+                        BLOCK_SIZE, amoebaGpu->maxMapTorqueDifference, BLOCK_SIZE );
         exit(-1);
     }