diff --git a/unittest/force-styles/test_dihedral_style.cpp b/unittest/force-styles/test_dihedral_style.cpp index a483f454f2..e60968bb0a 100644 --- a/unittest/force-styles/test_dihedral_style.cpp +++ b/unittest/force-styles/test_dihedral_style.cpp @@ -199,6 +199,15 @@ void data_lammps(LAMMPS *lmp, const TestConfig &cfg) command("variable dihedral_style index '" + cfg.dihedral_style + "'"); command("variable data_file index " + cfg.basename + ".data"); + // special treatment for dihedral styles charmm and charmmfsw + if (cfg.dihedral_style == "charmm") { + command("variable pair_style delete"); + command("variable pair_style index 'lj/charmm/coul/charmm 7.0 8.0'"); + } else if (cfg.dihedral_style == "charmmfsw") { + command("variable pair_style delete"); + command("variable pair_style index 'lj/charmmfsw/coul/charmmfsh 7.0 8.0'"); + } + std::string input_file = INPUT_FOLDER + PATH_SEP + cfg.input_file; parse_input_script(input_file);