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On the Calculation of Atomic Forces in Classical Simulation Using the Charge-on-Spring Method To Explicitly Treat

Daan P Geerke1, Wilfred F van Gunsteren1

  • 1Laboratory of Physical Chemistry, Swiss Federal Institute of Technology Zürich (ETH), CH-8093 Zürich, Switzerland.

Journal of Chemical Theory and Computation
|December 5, 2015
PubMed

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