[CP2K-user] what section to ensure that the center of mass (COM) of the water slab remained at the origin of the coordinate system

[冬tlyer]

Dear users:

Recently, the system of one compound that resided at the slab interface was 
run on my computer. However, I found that the water slab always motion due 
to the AIMD simulation,  and I want to ensure the COM of the water slab 
remained at the origin coordinate. 

By searching in our group, the KIND HARMONIC may work in &MM section. But 
the &BAND and &BOND both have the keyword of KIND HARMONIC. The question is 
which section should I focus on. if I don't want to use &MM section, what 
else method to achieve this goal.

Thanks & Regards,
Tyler


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210422/3524ce98/attachment.htm>