[CP2K-user] [CP2K:20532] Re: CPASSERT in topology while running metadynamic
Marcella Iannuzzi
marci.akira at gmail.com
Sun Aug 4 10:18:04 UTC 2024
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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