I am new to LAMMPS and running a test job on a small molecule. ( triatomic) I would like to input a specific initial velocity (in xyz) for each atom in the molecule in order to obtain vibration of a specific mode. It looks to me that velocity card works for groups. How can one do this for each atom?
The input data file can have a Velocities section where the v of each atom
is specified. See the doc page for the read_data command.