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"Implementation of extended Lagrangian dynamics in GROMACS for polarizable ..."
Justin A. Lemkul et al. (2015)
- Justin A. Lemkul, Benoît Roux, David van der Spoel, Alexander D. MacKerell Jr.:
Implementation of extended Lagrangian dynamics in GROMACS for polarizable simulations using the classical Drude oscillator model. J. Comput. Chem. 36(19): 1473-1479 (2015)
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