diff --git a/src/molecule.cpp b/src/molecule.cpp index ed7c5492bf..52d34c52ce 100644 --- a/src/molecule.cpp +++ b/src/molecule.cpp @@ -1471,6 +1471,11 @@ void Molecule::shakeatom_read(char *line) nwant = 5; break; + case 0: + values.next_int(); + nwant = 1; + break; + default: error->one(FLERR,"Invalid shake atom in molecule file"); } @@ -1537,6 +1542,11 @@ void Molecule::shaketype_read(char *line) nwant = 4; break; + case 0: + values.next_int(); + nwant = 1; + break; + default: error->one(FLERR,"Invalid shake type data in molecule file"); }