Computational Details of the QM/MM BOMD Simulations
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Publisher
Springer International Publishing
Link
http://link.springer.com/content/pdf/10.1007/978-3-030-28611-8_10
Reference25 articles.
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5. Andersen HC (1983) Rattle: a “velocity” version of the shake algorithm for molecular dynamics calculations. J Comput Phys 52:24
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