xyz

For each molecule in the system and for each trajectory, specify a xyz file for the starting position of that molecule. The syntax is:

xyz {molecule_id} {filename}

molecule_id

An integer (starting at 1) of the molecule index from the READ section

filename

The name of the file for the xyz coordinates of the molecule center for a given trajectory. The trajectories for a given molecule should be ordered sequentially in the ELEC section.