diff --git a/CudaSurf.cu b/CudaSurf.cu index deaa7c5..d29e117 100644 --- a/CudaSurf.cu +++ b/CudaSurf.cu @@ -564,9 +564,9 @@ std::vector computeSlicedSES(float3 positions[], float radii[], unsign // Grid is a cube float3 originGridNeighbor = { - minVal.x - maxAtomRad - 2 * probeRadius, - minVal.y - maxAtomRad - 2 * probeRadius, - minVal.z - maxAtomRad - 2 * probeRadius}; + minVal.x - maxAtomRad - probeRadius, + minVal.y - maxAtomRad - probeRadius, + minVal.z - maxAtomRad - probeRadius}; int gridNeighborSize = (int)ceil(maxDist / gridResolutionNeighbor);