The CHARMM-TURBOMOLE interface for efficient and accurate QM/MM molecular dynamics, free energies, and excited state properties

Saleh Riahi, Christopher N. Rowley. The CHARMM-TURBOMOLE interface for efficient and accurate QM/MM molecular dynamics, free energies, and excited state properties. Journal of Computational Chemistry, 35(28):2076-2086, 2014. [doi]

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