diff --git a/src/bias/MetaD.cpp b/src/bias/MetaD.cpp index da9be43db2b43ca30a75dd331ff2d18ba4ca9705..0fcc257f8a821a428d6fa87af66db59de6f654ce 100644 --- a/src/bias/MetaD.cpp +++ b/src/bias/MetaD.cpp @@ -472,6 +472,12 @@ isFirstStep(true) std::string funcl=getLabel() + ".bias"; if(!sparsegrid){BiasGrid_=new Grid(funcl,getArguments(),gmin,gmax,gbin,spline,true);} else{BiasGrid_=new SparseGrid(funcl,getArguments(),gmin,gmax,gbin,spline,true);} + std::vector<std::string> actualmin=BiasGrid_->getMin(); + std::vector<std::string> actualmax=BiasGrid_->getMax(); + for(unsigned i=0;i<getNumberOfArguments();i++){ + if(gmin[i]!=actualmin[i]) log<<" WARNING: GRID_MIN["<<i<<"] has been adjusted to "<<actualmin[i]<<" to fit periodicity\n"; + if(gmax[i]!=actualmax[i]) log<<" WARNING: GRID_MAX["<<i<<"] has been adjusted to "<<actualmax[i]<<" to fit periodicity\n"; + } } if(wgridstride_>0){