[CP2K-user] [CP2K:18586] Re: Problem about the unit of COORDINATION in wall POSITION section.

Marcella Iannuzzi marci.akira at gmail.com
Wed Mar 29 10:11:39 UTC 2023

Hi ?
No needs to set any units in this case. cp2k will interpret it correctly. 

On Wednesday, March 29, 2023 at 10:08:15 AM UTC+2 廉永健(lianyongjian) wrote:

> 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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