A polarizable MARTINI model for monovalent ions in aqueous solution
- Created: Wednesday, 01 August 2018 17:10
- Last Updated: Monday, 06 August 2018 14:32
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.
The Journal of Chemical Physics 149, 163319 (2018); https://doi.org/10.1063/1.5028354