I am trying to calculate sum of Exp[U/(Kb T)]，U is potential energy 200 Kcal/mol，Kbis Boltzmann constant 1.4*10^-23,T temperature 298K。However, Exp[U/(Kb T)] becomes infinite for any energy. How should I compute it? Thank you.
David Vega
Units... Use R instead Kb, or multiply U by (1/Na), Na is the Avogadro constant.
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Anton Vrdoljak
Next, be aware of the rule for negative exponents, i.e. that the following identity holds for an arbitrary integer n and nonzero b:
b-n = 1/bn
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Haixiang hu
Thank you Anton Vrdoljak . I miss a negative sign in the equation. But it’s still infinitesimal which can not be handled by computer. The unit of kb should be the reason because the unit of U is kcal/mol
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