diff --git a/src/core/SetupMolInfo.cpp b/src/core/SetupMolInfo.cpp index f6b13781f5f5d4f38829d5f52c9eafe1883903d0..9136a095f63114b1c2f18aa613deb7855d06d2e2 100644 --- a/src/core/SetupMolInfo.cpp +++ b/src/core/SetupMolInfo.cpp @@ -72,7 +72,10 @@ pdb(*new(PDB)) } if( read_backbone.size()==0 ){ std::string reference; parse("STRUCTURE",reference); - pdb.read(reference,plumed.getAtoms().usingNaturalUnits(),0.1/plumed.getAtoms().getUnits().getLength()); + + + if( ! pdb.read(reference,plumed.getAtoms().usingNaturalUnits(),0.1/plumed.getAtoms().getUnits().getLength()), + error("missing input file " + reference )); std::vector<std::string> chains; pdb.getChainNames( chains ); log.printf(" pdb file named %s contains %d chains \n",reference.c_str(), chains.size() ); for(unsigned i=0;i<chains.size();++i){