Constant potential method
Add the constant potential method to Gromacs. An implementation of the method is described at:
This is currently in planning stage, any comments would be helpful
#2 Updated by Vladislav Ivaništšev about 1 year ago
Constant potential method (CPM) describes electrode charges in simulations of electrified interfaces. CPM accounts for the charge fluctuations on the electrode caused by the ionic density fluctuations near the electrode. CPM is the state-of-the-art method for the electrical double layer modelling.
Variations of this method are impemented in LAMMPS ([[https://doi.org/10.1063/1.4899176]]) as well as in self-written codes, see [[https://doi.org/10.1063/1.2464084]], [[https://doi.org/10.1080/08927022.2017.1279287]], [[https://doi.org/10.1021/jz3019226]], [[https://doi.org/10.1021/acs.jpcc.5b06046]], [[https://doi.org/10.1063/1.4948938]]. It is time to implement CPM in GROMACS.