7
The adoption of atom-typing allowed for the creation of incredibly widely used force-fields (FF) such as GROMOS/AMBER/OPLS and many more. Because of the assumptions required in Molecular Mechanical (MM) models, in order to be accurate, at least part of the force-field must be fit to experimental ...
Gaussian cubegen and surface generators in Gaussview seem to only allow to map the ESP on SCF densities. I would like to plot it on the solvent accessible surface. Is there any (free) software that allows me to do that?
