[CP2K-user] [CP2K:20533] Re: CPASSERT in topology while running metadynamic

[Pierre Beaujean]

oooh, *touché*.

Indeed, I used VMD to generated the geometry, which resulted in number 
being added to atoms.

Thanks :)

On Sunday, August 4, 2024 at 12:18:04 PM UTC+2 Marcella Iannuzzi wrote:

> Hi Pierre,
>
> Apparently, no atoms of the kind specified in the CV definition have been 
> found.
> Regards
> Marcella
>
> On Sunday, August 4, 2024 at 11:35:45 AM UTC+2 pier... at gmail.com wrote:
>
>> Hi, 
>>
>> I'm trying to perform a metadynamic using 3 collectives variables. 
>> However, I get a CPASSERT error coming from colvar_utils.F:611. Input and 
>> output are provided here: 
>> https://gist.github.com/pierre-24/8eb85ba711c3c992d00a169d2cd066a0
>>
>> Anyone has an idea? Thanks in advance :)
>>
>> Pierre
>>
>

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