xyzΒΆ

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. </p>

Todo

It would be nice to incorporate the xyz functionality into the READ input file section block. Documented in https://github.com/Electrostatics/apbs-pdb2pqr/issues/505