diff --git a/src/molecule.cpp b/src/molecule.cpp index 1248dee306..600f865789 100644 --- a/src/molecule.cpp +++ b/src/molecule.cpp @@ -535,6 +535,8 @@ void Molecule::read(int flag) if (flag) molecules(line); else skip_lines(natoms,line); } else if (strcmp(keyword,"Fragments") == 0) { + if (nfragments == 0) + error->all(FLERR,"Molecule file has fragments but no nfragments setting"); fragmentflag = 1; if (flag) fragments(line); else skip_lines(nfragments,line);