visualizing geometry from * inside the box in VMD

Megha Anand meghaan... at
Tue Oct 25 00:57:29 UTC 2016

Dear CP2K users,

Forgive me for asking several trivial questions. I am still new to CP2K. 
Many thanks to several members of this group because of whom I am able to 
take baby steps towards learning this powerful program.

I am using VMD to visualize the * file generated by CP2K. How do 
I see these geometry changes in * file inside the simulation box. 
Is there a keyword that allows to print these coordinates inside the 
simulation box for each geometry optimization step. I am doing a 
non-periodic computation on a diatomic system using MT poisson solver and 
would like to get a feel for the spacing between the system and then cell 

Thank you so much for your time and help!

Best regards,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>

More information about the CP2K-user mailing list