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Probability / Energy question

  1. May 25, 2008 #1
    1. The problem statement, all variables and given/known data

    - Initial conformational potential energy = 2500 J
    - NVT Metropolis Monte Carlo simulation, T = 300 K
    - New conformational potential energy = 5000 J

    What's the probability this will be accepted within the Metropolis scheme?


    2. Relevant equations

    Acceptance Probability:
    [tex]P=exp\left(\frac{-\Delta U_{mn}}{kT}\right)[/tex]

    [tex]\Delta U_{mn}=U(q_{n}^{N})-U(q_{m}^{N})[/tex]

    where [tex]U(q_{m}^{N})[/tex] is our initial potential and [tex]U(q_{n}^{N})[/tex] is our final potential.

    3. The attempt at a solution

    I'm plugging these numbers in, but the exponent is going to zero, which I know to be wrong. Is there some conversion of energy I'm missing? Seems a bit odd...
     
  2. jcsd
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