[DFTB-Plus-User] trajectory file in MD for periodic models

Morteza Chehelamirani morteza.amirani at gmail.com
Fri Jul 14 18:30:08 CEST 2023


Hello

Just wondering how the trajectory file of a dynamic simulation can be
written including the unit cell information so I can visualize the
trajectory of the whole unit cell in VMD? For the periodic models, I see
the trajectory written in xyz format but I need to also have cell vectors
and angles in each step so I can better visualize.

Sincerely,
Morteza Chehel Amirani, PhD
Svante, BC, Canada
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