diff --git a/src/MOLECULE/dihedral_charmm.cpp b/src/MOLECULE/dihedral_charmm.cpp index 409e7b4b17..ddbce407c9 100644 --- a/src/MOLECULE/dihedral_charmm.cpp +++ b/src/MOLECULE/dihedral_charmm.cpp @@ -374,12 +374,16 @@ void DihedralCharmm::init_style() Respa *r = (Respa *) update->integrate; if (r->level_pair >= 0 && (r->level_pair != r->level_dihedral)) error->all(FLERR,"Dihedral style charmm must be set to same" - " r-RESPA level as 'pair'"); + " r-RESPA level as 'pair'"); if (r->level_outer >= 0 && (r->level_outer != r->level_dihedral)) error->all(FLERR,"Dihedral style charmm must be set to same" - " r-RESPA level as 'outer'"); + " r-RESPA level as 'outer'"); } + if ((force->special_lj[3] != 0.0) || (force->special_coul[3] != 0.0)) + error->all(FLERR,"Must use 'special_bonds charmm' with" + " dihedral style charmm"); + // insure use of CHARMM pair_style if any weight factors are non-zero // set local ptrs to LJ 14 arrays setup by Pair diff --git a/src/MOLECULE/dihedral_charmmfsw.cpp b/src/MOLECULE/dihedral_charmmfsw.cpp index 83aa489741..4d78630f47 100644 --- a/src/MOLECULE/dihedral_charmmfsw.cpp +++ b/src/MOLECULE/dihedral_charmmfsw.cpp @@ -398,6 +398,10 @@ void DihedralCharmmfsw::init_style() " r-RESPA level as 'outer'"); } + if ((force->special_lj[3] != 0.0) || (force->special_coul[3] != 0.0)) + error->all(FLERR,"Must use 'special_bonds charmm' with" + " dihedral style charmmfsw"); + // insure use of CHARMM pair_style if any weight factors are non-zero // set local ptrs to LJ 14 arrays setup by Pair