For molecular dynamics simulations, it is possible to provide the initial velocity of each atom by the following keyword:
<MD.Init.Velocity 1 3000.000 0.0 0.0 2 -3000.000 0.0 0.0 MD.Init.Velocity>The example is for a system consisting of two atoms. If you have N atoms, then you have to provide N rows in this specification. The 1st column is the same sequential number to specify atom as in the specification of the keyword 'Atoms.SpeciesAndCoordinates'. The 2nd, 3rd, and 4th columns are x-, y-, and z-components of the velocity of each atom, respectively. The unit of the velocity is m/s. The keyword 'MD.Init.Velocity' is compatible with the keyword 'MD.Fixed.XYZ'.