├── README.md └── namd_xtb.py /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/fhh2626/NAMD-xtb-QMMM-interface/HEAD/README.md -------------------------------------------------------------------------------- /namd_xtb.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/fhh2626/NAMD-xtb-QMMM-interface/HEAD/namd_xtb.py --------------------------------------------------------------------------------