diff --git a/src/write_data.cpp b/src/write_data.cpp index d8b951dd8c33d35af895b13b43151e1c36c792f9..8f8aa69349a1f3d688286e1060b2675d4e501418 100644 --- a/src/write_data.cpp +++ b/src/write_data.cpp @@ -240,6 +240,26 @@ void WriteData::header() fprintf(fp,BIGINT_FORMAT " impropers\n",atom->nimpropers); fprintf(fp,"%d improper types\n",atom->nimpropertypes); } + if (atom->extra_bond_per_atom > 0) { + fprintf(fp,BIGINT_FORMAT " extra bond per atom\n", + atom->extra_bond_per_atom); + } + if (atom->extra_angle_per_atom > 0) { + fprintf(fp,BIGINT_FORMAT " extra angle per atom\n", + atom->extra_angle_per_atom); + } + if (atom->extra_dihedral_per_atom > 0) { + fprintf(fp,BIGINT_FORMAT " extra dihedral per atom\n", + atom->extra_dihedral_per_atom); + } + if (atom->extra_improper_per_atom > 0) { + fprintf(fp,BIGINT_FORMAT " extra improper per atom\n", + atom->extra_improper_per_atom); + } + if (force->special_extra > 0) { + fprintf(fp,BIGINT_FORMAT " extra special per atom\n", + force->special_extra); + } } for (int i = 0; i < modify->nfix; i++)