Water molecule bond length

Classical Mechanics

Potential Function

Lennard--Jones potential with parameters for TIPS model: Failed to parse (unknown function "\A"): {\displaystyle A = 580.0 \times 10^3 kcal \A ^{12}/mol B = 525.0 kcal A^6/mol } where $A$ is Ångströms.

Temperature/ Initial distribution

The initial velocity of the hydrogen atom is chosen randomly from the Maxwell-Boltzmann distribution at given temperature $T$

$p(v)=\left({\frac {m}{2\pi k_{B}T}}\right)^{1/2}\exp \left[-{\frac {1}{2}}{\frac {mv^{2}}{k_{B}T}}\right]$

Issues

1D statement