diff --git a/src/bias/MetaD.cpp b/src/bias/MetaD.cpp index 271c370830ad6f83c52ddc49fbd579bae278d8c6..db1b1995d74b0b291170b8fee1bf465fbeae6213 100644 --- a/src/bias/MetaD.cpp +++ b/src/bias/MetaD.cpp @@ -650,7 +650,7 @@ last_step_warn_grid(0) if(walkers_mpi) log.printf(" Multiple walkers active using MPI communnication\n"); } - addComponent("bias"); componentIsNotPeriodic("bias"); + addComponentWithDerivatives("bias"); componentIsNotPeriodic("bias"); if( rewf_grid_.size()>0 ){ addComponent("rbias"); componentIsNotPeriodic("rbias"); addComponent("rct"); componentIsNotPeriodic("rct"); @@ -1155,6 +1155,7 @@ void MetaD::calculate() for(unsigned i=0;i<ncv;++i){ const double f=-der[i]; setOutputForce(i,f); + getPntrToComponent("bias")->addDerivative(i,der[i]); } delete [] der;