diff --git a/src/neighbor.cpp b/src/neighbor.cpp index 0055678f41..68fa3ca96e 100644 --- a/src/neighbor.cpp +++ b/src/neighbor.cpp @@ -1363,6 +1363,10 @@ void Neighbor::init_topology() onoff = improper_off; MPI_Allreduce(&onoff,&improper_off,1,MPI_INT,MPI_MAX,world); + // newton_bond off is not supported with atom style template + if ((atom->molecular == Atom::TEMPLATE) && (force->newton_bond == 0)) + error->all(FLERR,"Must use 'newton bond on' with atom style template"); + // instantiate NTopo classes if (atom->avec->bonds_allow) {