I solve the problem<br><br><div>AmberTools add some flags into .prmtop, which are <br></div><div><br></div><div>


        
        <span></span>
        
        


<span><span><span><span><p>%FLAG CMAP_COUNT<span><span><span><span></span></span></span></span></p></span></span></span></span><span><span><span><span><p>
                        %FLAG CMAP_RESOLUTION                                             
                                     
                        </p>
                </span>
        </span>
        <span>
                <span></span></span></span></span><span><span><span><span><p>%FLAG CMAP_PARAMETER_01                                           
                                     
                        </p></span></span></span></span><span><span><span><span></span></span></span></span><span><span><span><span>
                </span>
        </span>
        <span>
                <span></span></span></span></span><span><span><span><span><p>%FLAG CMAP_PARAMETER_02                                           
                                     
                        </p></span></span></span></span><span><span><span><span></span></span></span></span><span><span><span><span>
                </span>
        </span>
        <span>
                <span></span></span></span></span><span><span><span><span><p>%FLAG CMAP_PARAMETER_03                                           
                                     
                        </p></span></span></span></span><span><span><span><span></span></span></span></span><span><span><span><span>
                </span>
        </span>
        <span>
                <span></span></span></span></span><span><span><span><span><p>%FLAG CMAP_PARAMETER_04                                           
                                     
                        </p></span></span></span></span><span><span><span><span></span></span></span></span><span><span><span><span>
                </span>
        </span>
        <span>
                <span></span></span></span></span><span><span><span><span><p>%FLAG CMAP_PARAMETER_05                                           
                                     
                        </p></span></span></span></span><span><span><span><span></span></span></span></span><span><span><span><span>
                </span>
        </span>
        <span>
                <span></span></span></span></span><span><span><span><span><p>%FLAG CMAP_PARAMETER_06                                           
                                     
                        </p></span></span></span></span><span><span><span><span></span></span></span></span><span><span><span><span>
                </span>
        </span>
        <span>
                <span></span></span></span></span><span><span><span><span><p>%FLAG CMAP_PARAMETER_07                                           
                                     
                        </p></span></span></span></span><span><span><span><span></span></span></span></span><span><span><span><span>
                </span>
        </span>
        <span>
                <span></span></span></span></span><span><span><span><span><p>%FLAG CMAP_PARAMETER_08                                           
                                     
                        </p></span></span></span></span><span><span><span><span></span></span></span></span><span><span><span><span>
                </span>
        </span>
        <span>
                <span></span></span></span></span><span><span><span><span><p>%FLAG CMAP_PARAMETER_09                                           
                                     
                        </p></span></span></span></span><span><span><span><span></span></span></span></span><span><span><span><span>
                </span>
        </span>
        <span>
                <span></span></span></span></span><span><span><span><span><p>%FLAG CMAP_PARAMETER_10                                           
                                     
                        </p></span></span></span></span><span><span><span><span></span></span></span></span><span><span><span><span>
                </span>
        </span>
        <span>
                <span></span></span></span></span><span><span><span><span><p>%FLAG CMAP_PARAMETER_11                                           
                                     
                        </p></span></span></span></span><span><span><span><span></span></span></span></span><span><span><span><span>
                </span>
        </span>
        <span>
                <span></span></span></span></span><span><span><span><span><p>%FLAG CMAP_PARAMETER_12                                           
                                     
                        </p></span></span></span></span><span><span><span><span></span></span></span></span><span><span><span><span>
                </span>
        </span>
        <span>
                <span></span></span></span></span><span><span><span><span><p>%FLAG CMAP_PARAMETER_13                                           
                                     
                        </p></span></span></span></span><span><span><span><span></span></span></span></span><span><span><span><span>
                </span>
        </span>
        <span>
                <span></span></span></span></span><span><span><span><span><p>%FLAG CMAP_PARAMETER_14                                           
                                     
                        </p></span></span></span></span><span><span><span><span></span></span></span></span><span><span><span><span>
                </span>
        </span>
        <span>
                <span></span></span></span></span><span><span><span><span><p>%FLAG CMAP_INDEX<span><span><span><span></span></span></span></span></p></span></span></span></span><span><span><span><span></span></span></span></span></div><br>When, I eliminate these section into .prmtop, cp2k will run without errors<br><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">El sábado, 5 de febrero de 2022 a las 17:27:11 UTC-3, Andy Danian Zapata Escobar escribió:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Hello Everyone<br><br>I had a problem with the topology file. I use Amber21 (tleap) to make .prmtop. <br><br>I get this error (I am working with the protein 5GR9)<br><br> *******************************************************************************<br> *   ___                                                                       *<br> *  /   \                                                                      *<br> * [ABORT]                                                                     *<br> *  \___/  Expecting %FORMAT. Not found! Abort reading of AMBER topology file! *<br> *    |                                                                        *<br> *  O/|                                                                        *<br> * /| |                                                                        *<br> * / \                                                   topology_amber.F:1328 *<br><div> *******************************************************************************</div><div><br></div><div><br></div><div>Thank you in advance!<br><br>Andy</div></blockquote></div>

<p></p>

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