Potential and distribution in molecular dynamics

In summary, potential energy in molecular dynamics refers to the energy stored in the interactions between atoms or molecules in a system. It is typically calculated using a force field model and plays a crucial role in determining the behavior and stability of the system. The distribution of particles in molecular dynamics simulations is influenced by factors such as initial conditions, force field, temperature, pressure, and particle interactions.
  • #1
zzl1007
1
0
I get this formula in a MD paper:Wavelet-based multi-scale coarse graining approach for DNA molecules

P(d)=A*exp(-U(d)/kT)

P(d) is the distribution function, U(d) is the potentital.

How does this formula come?

In the paper I read about this, they get the distribution first, and obtain the potential from the distribution by using this formula. Does that make sense?

Really need someone's help.

Thank you!
 
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  • #2
You need to supply the exact reference to the paper you read.

Zz.
 
  • #3
By sticking the potential into the Boltzmann distribution, I'd assume.
 

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