Polarizable Drude Model with s-type Gaussian or Slater Charge Density for General Molecular Mechanics Force Fields

03 September 2018, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


Submitted manuscript that describes derivation of atomic polarization and exponents for Gaussian or Slater distribution functions to describe polarizable atoms in force fields. Parameters are provided based on the General Amber Force Field, for H, C, N, O, F, P, S, Cl, Br, I.


force field development
Charge generation
Slater functions

Supplementary weblinks


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