PotsEpsCorrection(pots, eps_old, eps_new, mcmfile=None)

Creates a new set of potentials, where intermolecular potentials are adjusted to a changed value of the dielectric permittivity according to eq.5. Intramolecular (bond) potentials are kept untouched.

pots*

- set of potentials to analyze (mandatory argument) NB! The correction only affects intermolecular potentials.

eps_old*

- dielectric permittivity used in inverse MC calculation (mandatory argument)

eps_new*

- new value of dielectric permittivity.

mcmfile

- molecular description file (or list of files) providing charges for bead/CG-atom types. Required if the potential was read from [RDFnPOT].pot file rather than from MagiC core [.out]log file.

Example: newpots=MagicTools.PotsEpsCorrection(Pots,eps_old=70,eps_new=100)