[CP2K-user] [CP2K:16876] Re: Error in atom connectivity

[Jignesh Parmar]

Dear all
Please how to solve this problem. Can any one help me here.
I didn't got any reply from you.


On Tue, Apr 12, 2022, 11:38 AM Jignesh Parmar <jigneshparmar59 at gmail.com>
wrote:

> Respected sir
> I try to run QM/MM simulation using cp2k.input file, the following error
> occured
> QMMM_CONNECTIVITY| ERROR in the QM/MM connectivity. A QM/MM LINK was
> detected but
>  QMMM_CONNECTIVITY| no LINK section was provided in the Input file!
>  QMMM_CONNECTIVITY| This very probably can be identified as an error in
> the specified QM
>  QMMM_CONNECTIVITY| indexes or in a missing LINK section. Check your
> structure!
> i used the following command: cp2k.psmp -i cp2k.in -o 1cib1.out
> I attached cp2k.inp and output file for reference
>  please. What is the issue and how to solve this issue?
> Please help me out as soon as possible.
>
> thanking you
>
> --
> --
> *Jignesh Parmar*
> *PhD student *
> *C/O Dr Anju Pappachan, *
> *Protein Engineering & Structural Biology Group*
> *School of Life Sciences *
> *Central University of Gujarat *
> *Sector-30, 382030*
> *Gandhinagar, Gujarat*
> *India *
>
>
>

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