[CP2K-user] [CP2K:18587] Re: Problem about the unit of COORDINATION in wall POSITION section.

[廉永健（lianyongjian）]

thanks

在2023年3月29日星期三 UTC+8 18:11:39<Marcella Iannuzzi> 写道：

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

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/2d870fbb-b74f-4d84-939b-ba319dc9fe5en%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230329/f64f5fd2/attachment.htm>