<div>Providing a PDB file for your input file with a last column of element could possible fix your problem. <br></div><div><br></div><div>All the best,</div><div>Qinghua<br></div><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Tuesday, October 19, 2021 at 12:28:09 AM UTC+2 isilay...@gmail.com wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">I managed it this part thanks for all<br><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">18 Ekim 2021 Pazartesi tarihinde saat 23:40:30 UTC+3 itibarıyla ışılay öztürk şunları yazdı:<br></div></div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0 0 0 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Dear all,<div><br></div><div>I tried to add ""
<CJ>""" this unknown. ((I guess that it comes from Amber force field. I am not expert on Amber)).</div><div><br></div><div>and now I have new problem </div><div><br></div><div><div>Possible matches for unknown subsection </div><div><br></div><div> KIND</div><div><br></div><div> keyword MASS in section %__ROOT__%FORCE_EVAL%SUBSYS%KIND score: 106</div><div> keyword POT in section %__ROOT__%FORCE_EVAL%SUBSYS%KIND score: 106</div><div> keyword MAO in section %__ROOT__%FORCE_EVAL%SUBSYS%KIND score: 106</div><div> subsection BS in section %__ROOT__%FORCE_EVAL%SUBSYS%KIND score: 106</div><div> keyword WEIGHT in section %__ROOT__%FORCE_EVAL%SUBSYS%KIND score: 105</div><div><br></div><div> *******************************************************************************</div><div> * ___ *</div><div> * / \ *</div><div> * [ABORT] *</div><div> * \___/ unknown subsection KIND of section KIND *</div><div> * | *</div></div><div><div> * O/| *</div><div> * /| | *</div></div><div><div> * / \ input/input_parsing.F:187 *</div><div> *******************************************************************************</div><div><br></div><div><br></div><div> ===== Routine Calling Stack ===== </div><div><br></div><div> 5 section_vals_parse</div><div> 4 section_vals_parse</div><div> 3 section_vals_parse</div><div> 2 section_vals_parse</div><div> 1 read_input</div></div><div><br></div><div>Please someone any idea? </div><div><br></div><div>Best wishes</div><div><br></div><div>Işılay</div><div><br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">18 Ekim 2021 Pazartesi tarihinde saat 15:24:09 UTC+3 itibarıyla <a rel="nofollow">fabia...@gmail.com</a> şunları yazdı:<br></div></div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0 0 0 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div>
<p>Hi,</p>
<p>check the &KIND section in the manual:</p>
<p><a href="https://manual.cp2k.org/cp2k-8_2-branch/CP2K_INPUT/FORCE_EVAL/SUBSYS/KIND.html" rel="nofollow" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/cp2k-8_2-branch/CP2K_INPUT/FORCE_EVAL/SUBSYS/KIND.html&source=gmail&ust=1635337610322000&usg=AFQjCNEqBvCcSCypmVO7pHkvuws_92-bww">https://manual.cp2k.org/cp2k-8_2-branch/CP2K_INPUT/FORCE_EVAL/SUBSYS/KIND.html</a></p>
<p>You have to set the ELEMENT keyword.</p>
<p>Cheers,</p>
<p>Fabian<br>
</p></div><div>
<div>On 17.10.2021 22:15, ışılay öztürk
wrote:<br>
</div>
</div><div><blockquote type="cite">
<div dir="ltr">
<div>Dear all,</div>
<div><br>
</div>
I applied to forcefield with ambertools21.
<div><br>
</div>
<div>When I tried to apply QMM/MM part with CP2K, I took an
error message. and that is</div>
<div><br>
</div>
* [ABORT] <span style="background-color:rgb(0,0,255)"><font color="#ffff00">Unknown element for KIND <CJ></font>.
</span>This problem can be fixed *<br>
* \___/ specifying properly elements in PDB or specifying a
KIND section or *<br>
* | getting in touch with one of the
developers! *<br>
* O/|
*<br>
* /| |
*<br>
<div> * / \
topology_util.F:1248
*<br>
</div>
<div>
<div><br>
</div>
<div>I found this page "<a href="https://docs.bioexcel.eu/qmmm_bpg/en/main/running_cp2k/cp2k_errors.html" rel="nofollow" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://docs.bioexcel.eu/qmmm_bpg/en/main/running_cp2k/cp2k_errors.html&source=gmail&ust=1635337610323000&usg=AFQjCNEKJcWSj3I2kO-GCFc0F7C3epaX_w">https://docs.bioexcel.eu/qmmm_bpg/en/main/running_cp2k/cp2k_errors.html</a>"</div>
<div><br>
</div>
<div>Unfortunately, I didn't understand how I can fix it.</div>
<div><br>
</div>
<div>Does someone have any idea about this?</div>
<div><br>
</div>
<div>Sincerely</div>
<div><br>
</div>
<div>Işılay ÖZTÜRK</div>
<div><br>
</div>
-- <br>
<div dir="ltr" data-smartmail="gmail_signature">
<div dir="ltr">
<div>
<div dir="ltr">
<div><b><i>_______________________</i></b></div>
<div><b><i><br>
</i></b></div>
<div><b><i>PhD. Student Işılay Öztürk</i></b></div>
<div><b><i><br>
</i></b></div>
<div><i>
<div>EGE UNIVERSITY </div>
<div>Graduate School of Natural and Applied
Science</div>
<div>Departmant of Chemistry / Physical Chemistry</div>
<div>35100 Bornova / IZMIR / TURKEY</div>
</i></div>
</div>
</div>
</div>
</div>
</div>
</div></blockquote></div><div><blockquote type="cite">
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