Connect NAMD and Grimme's xtb program
See namd-xtb.py for details
We would appreciate citations to the following paper if you use this in your publication: Fu et al. Acc. Chem. Res. 2019, 52, 3254–3264
This software is under the MIT License
fhh2626/NAMD-xtb-QMMM-interface
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