ping

pot eng         e_potential     Kcal/mole
kin eng         e_kinetic       Kcal/mole
eng convert     efactor         332.0636 (Kcal - Ang) / (q^2 - mole)
                                (convert Coulomb eng to Kcal/mole)

LJ coeffs       lja,ljb         Kcal-Angs^(6,12)/mole

bond            various         see force_fields file
  parameters    2,3,4-body
                terms
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