Simulating the interactions between atoms and molecules is important for many scientific studies. However, accurate simulations can take a long time, which limits their use. To speed up simulations without sacrificing too much detail, Siewert-Jan Marrink, Professor of Molecular Dynamics at the University of Groningen, designed a set of parameters that allow fast but accurate coarse-grained simulations. In a paper that was published on 29 March in Nature Methods, Marrink and his co-workers present a third release of what is known as the Martini force field.
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Source: Phys.org