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Hello, all, I want to use NEMO and MKNEMO to generate intermolecular interaction between host and guest for MD or MC simulations, but I failed to calculate it due to the lack of input examples...
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Who can tell me which software is able to do non-empirical model potential (NEMO) decomposition? which one of that are free? DOI: 10.1038/NCHEM.1432
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