[["# mdin file - example for adaptive buffered-force QM/MM dynamics"], ["cntrl", "qmmm"], [{"ntt": "6", "ifqnt": "1"}, {"abfqmmm": "1", "r_core_in": "3.0", "r_core_out": "3.5", "r_qm_in": "3.0", "r_qm_out": "3.5", "r_buffer_in": "4.0", "r_buffer_out": "4.5", "coremask": "':1'", "qmmask": "':112, 1129, 1824, 2395'", "buffermask": "''", "corecharge": "0", "qmcharge": "0", "buffercharge": "0"}], [[], []]]