diff --git a/src/core/SetupMolInfo.cpp b/src/core/SetupMolInfo.cpp index 9136a095f63114b1c2f18aa613deb7855d06d2e2..ea6be1c7c068896e57eff204084be021dbed5ac2 100644 --- a/src/core/SetupMolInfo.cpp +++ b/src/core/SetupMolInfo.cpp @@ -74,8 +74,7 @@ pdb(*new(PDB)) std::string reference; parse("STRUCTURE",reference); - if( ! pdb.read(reference,plumed.getAtoms().usingNaturalUnits(),0.1/plumed.getAtoms().getUnits().getLength()), - error("missing input file " + reference )); + if( ! pdb.read(reference,plumed.getAtoms().usingNaturalUnits(),0.1/plumed.getAtoms().getUnits().getLength()))plumed_merror("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){