[CP2K-user] [CP2K:16548] Re: Expecting %FORMAT. Not found! Abort reading of AMBER topology file!

[Andy Danian Zapata Escobar]

I solve the problem

AmberTools add some flags into .prmtop, which are 

%FLAG CMAP_COUNT

%FLAG CMAP_RESOLUTION 

%FLAG CMAP_PARAMETER_01 

%FLAG CMAP_PARAMETER_02 

%FLAG CMAP_PARAMETER_03 

%FLAG CMAP_PARAMETER_04 

%FLAG CMAP_PARAMETER_05 

%FLAG CMAP_PARAMETER_06 

%FLAG CMAP_PARAMETER_07 

%FLAG CMAP_PARAMETER_08 

%FLAG CMAP_PARAMETER_09 

%FLAG CMAP_PARAMETER_10 

%FLAG CMAP_PARAMETER_11 

%FLAG CMAP_PARAMETER_12 

%FLAG CMAP_PARAMETER_13 

%FLAG CMAP_PARAMETER_14 

%FLAG CMAP_INDEX

When, I eliminate these section into .prmtop, cp2k will run without errors

El sábado, 5 de febrero de 2022 a las 17:27:11 UTC-3, Andy Danian Zapata 
Escobar escribió:

> Hello Everyone
>
> I had a problem with the topology file. I use Amber21 (tleap) to make 
> .prmtop. 
>
> I get this error (I am working with the protein 5GR9)
>
>
>  *******************************************************************************
>  *   ___                                                                   
>     *
>  *  /   \                                                                 
>      *
>  * [ABORT]                                                                 
>     *
>  *  \___/  Expecting %FORMAT. Not found! Abort reading of AMBER topology 
> file! *
>  *    |                                                                   
>      *
>  *  O/|                                                                   
>      *
>  * /| |                                                                   
>      *
>  * / \                                                   
> topology_amber.F:1328 *
>
>  *******************************************************************************
>
>
> Thank you in advance!
>
> Andy
>

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