Implementation of extended Lagrangian dynamics in GROMACS for polarizable simulations using the classical Drude oscillator model

Publisher： John Wiley & Sons Inc

E-ISSN： 1096-987x|36|19|1473-1479

ISSN： 0192-8651

Source： JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol.36, Iss.19, 2015-07, pp. : 1473-1479

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