Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
INAQS, a generic interface for non-adiabatic QM/MM dynamics: Design, implementation, and validation for GROMACS/Q-CHEM simulations
, Authors:
Vale Cofer-Shabica, Maximilian Menger, Qi Ou, Yihan Shao, Joseph Subotnik, Shirin Faraji
Version 1 posted 02 March 2022
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