A conceptual modelling for combining potentials in both coarse grain and fine grain sugar molecules

The use of computers for experiment has offered the ability to study the behavior of substances at the microscopic level providing understanding into the physical phenomena we face. This has raised questions on resources and the mechanisms that are employed to provide effective analysis of simulation results. In view of this, various approaches in addressing these challenges have been experimented with which coarse-graining is a major factor. Coarse-grain simulations reduces the detail level of simulations but offers larger time steps and required properties, among other merits, in the modeling of complex structures like carbohydrates. This research paper provides a conceptual model whereby the potentials that result from coarse grain and fine grain simulations can be combined using the theories of multi-scaling. A demonstration of the simulation of sucrose, a carbohydrate, is provided using the martini force field for the simulation process.