A fully atomistic modelling of many biophysical and biochemical processes at biologically
relevant length-and time scales is beyond our reach with current computational resources,
and one approach to overcome this difficulty is the use of multiscale simulation techniques.
In such simulations, when system properties necessitate a boundary between resolutions
that falls within the solvent region, one can use an approach such as the Adaptive
Resolution Scheme (AdResS), in which solvent particles change their resolution on the fly …