[CP2K-user] [CP2K:18583] Problem about the unit of COORDINATION in wall POSITION section.

廉永健(lianyongjian) j2277388097 at gmail.com
Wed Mar 29 08:08:15 UTC 2023

I am trying to get a reaction FES by metadynamic , and the CV is 
two COORDINATION. I need to set some restrictions  so as to achieve 
reaction  . So i read the section  WALL in  manual , i am confused about 
the unit of COORDINATION in the wall POSITION section. The coordination 
number should be unitless . How should I set  up  in  wall POSITION section[image: 
屏幕截图 2023-03-29 160748.png]

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