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QMHub

A universal QM/MM interface. It supports NAMD, Sander, and OpenMM as the MM engine, and Q-Chem, DFTB+, ORCA, MOPAC, PSI4, and SQM as the QM engine currently. This code was written by Xiaoliang Pan (github: @panxl).

This project is currently in early alpha stage. Use at your own risk for production work.

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A universal QM/MM interface

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