Does anyone know if GULP can print an XYZ file in a way that each optimization step is printed out, so one can open up that file to visualize the optimization steps taken by GULP?
It would be nice to use this sort of file for visualizing the optimization steps taken by GULP by either VMD or PyMOL.
Hi Manoel,
If you look up the “output” option in the help text for GULP this describes all the file formats that can be output. Under the “xyz” format it explains how to create an animation of an optimisation.
Regards,
Julian
