A polarizable MARTINI model for monovalent ions in aqueous solution

Ions are known to be tricky when it comes to molecular dynamics. A new polarizable model has been proposed which should have improved behaviour for highly charged models such as DNA and polyelectrolytes. The authors recommend its usage in combination with the refPol forcefield for Martini for best behaviour.

Julian Michalowsky, Johannes Zeman, Christian Holm and Jens Smiatek

The Journal of Chemical Physics 149, 163319 (2018); https://doi.org/10.1063/1.5028354

Figure