xyz

Todo

This command has not yet been ported to the new APBS syntax (see YAML- and JSON-format input files).

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.

Todo

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