Dear all,

There is some doubts regarding sorption module

1)Number of equilibrium steps and production steps are total number of steps for the each particle / the whole system?.

2)In Ewald sum of sorption module, Ewald accuracy is 0.0001kcal/mol  is precision of electrostatic energy?Ewald sum is particle mesh ewald method?

3)In sorption module, in properties section, grid resolution and  grid interval is there .What is there significance? Is it like potential  energy calculated only those grid points and in between point by some  interpolation?

Thanks

Amar