diff --git a/src/vatom/COM.cpp b/src/vatom/COM.cpp index ffbd280d95b4ed6a2681695b5377e00558fceccc..50c960a9f90b59ac0fc89fc78fe2b991a2dd092f 100644 --- a/src/vatom/COM.cpp +++ b/src/vatom/COM.cpp @@ -76,6 +76,7 @@ COM::COM(const ActionOptions&ao): { vector<AtomNumber> atoms; parseAtomList("ATOMS",atoms); + if(atoms.size()==0) error("at least one atom should be specified"); checkRead(); log.printf(" of atoms"); for(unsigned i=0;i<atoms.size();++i) log.printf(" %d",atoms[i].serial()); diff --git a/src/vatom/Center.cpp b/src/vatom/Center.cpp index 3a399f19392ccc4560a85f19d90136bd7cb5541c..6fd0558c84e39a431591225b4e4ad28e8e6e21f7 100644 --- a/src/vatom/Center.cpp +++ b/src/vatom/Center.cpp @@ -88,6 +88,7 @@ Center::Center(const ActionOptions&ao): { vector<AtomNumber> atoms; parseAtomList("ATOMS",atoms); + if(atoms.size()==0) error("at least one atom should be specified"); parseVector("WEIGHTS",weights); parseFlag("MASS",weight_mass); checkRead();