diff --git a/src/GrandBrownTown.cu b/src/GrandBrownTown.cu index 785dcb73b47e17b1b4f254e9217b809c1efc2901..60520a4a26c5a269869d4536619b83642dc102b5 100644 --- a/src/GrandBrownTown.cu +++ b/src/GrandBrownTown.cu @@ -700,11 +700,12 @@ void GrandBrownTown::RunNoseHooverLangevin() delete[] coords; delete[] atomIds; } + RBC.clearForceAndTorque(); + if (imd_on && clientsock) internal->setForceInternalOnDevice(imdForces); // TODO ensure replicas are mutually exclusive with IMD - - RBC.clearForceAndTorque(); - gpuErrchk(cudaMemsetAsync((void*)(internal->getForceInternal_d()),0,num*numReplicas*sizeof(Vector3))); + else + gpuErrchk(cudaMemsetAsync((void*)(internal->getForceInternal_d()),0,num*numReplicas*sizeof(Vector3))); if (interparticleForce) { // 'tabulatedPotential' - determines whether interaction is described with tabulated potentials or formulas