diff --git a/src/ComputeForce.cu b/src/ComputeForce.cu index d7f055c3d4c495acc01698df6b60304cdac95705..3d025880ee0eca499fd1811339d0e7dc972dd5a6 100644 --- a/src/ComputeForce.cu +++ b/src/ComputeForce.cu @@ -136,6 +136,8 @@ ComputeForce::ComputeForce(const Configuration& c, const int numReplicas = 1) : } } + restraintIds_d = NULL; + //Calculate the number of blocks the grid should contain gridSize = num / NUM_THREADS + 1;