<div dir="ltr">thank you very much travis, sending the calculation I hope that functions<br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">El jue., 28 de nov. de 2019 a la(s) 16:03, Travis (<a href="mailto:polla...@gmail.com">polla...@gmail.com</a>) escribió:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Hi,<div><br></div><div>You're also missing &END KIND for &KIND H.</div><div><br></div><div>-T</div><div><br></div><div><br><br>On Thursday, November 28, 2019 at 3:25:47 PM UTC-5, alejandro martinez wrote:<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">hello how about travis, I tell you that the error is still there, I don't know what else to do<br></div><br><div class="gmail_quote"><div dir="ltr">El jue., 28 de nov. de 2019 a la(s) 14:48, alejandro martinez (<a rel="nofollow">al...@gmail.com</a>) escribió:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">thank you very much friend ... I know what you mean, I will send the calculation and then I will tell you how it goes ... greetings<br></div><br><div class="gmail_quote"><div dir="ltr">El jue., 28 de nov. de 2019 a la(s) 13:59, Travis (<a rel="nofollow">po...@gmail.com</a>) escribió:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Hi,<div><br></div><div>In your input file, you labeled &KIND Cu2. In your PDB file, you have the only copper atom listed as Cu. These need to match.</div><div><br></div><div>-T</div><div><br><br>On Thursday, November 28, 2019 at 1:11:28 PM UTC-5, alejandro martinez wrote:<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Thank you for your answer, but in my pdb file the first atom is Cu. not understanding what you mean ... thank you very much<br></div><br><div class="gmail_quote"><div dir="ltr">El mié., 27 de nov. de 2019 a la(s) 20:21, Travis (<a rel="nofollow">po...@gmail.com</a>) escribió:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Hi,<div><br></div><div>&KIND Cu2 <- Cu2 isn't in your PDB file. Change to Cu.</div><div><br></div><div>-T</div><div><br><br>On Wednesday, November 27, 2019 at 7:45:52 PM UTC-5, alejandro martinez wrote:<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><span lang="en"><span title="">hello how about friends, I have a problem with a calculation I get this error I tried many ways to solve it and it still comes out</span><br><span title="">unknown subsection KIND of section KIND</span></span></div></blockquote></div></div>
<p></p>
-- <br>
You received this message because you are subscribed to the Google Groups "cp2k" group.<br>
To unsubscribe from this group and stop receiving emails from it, send an email to <a rel="nofollow">c...@googlegroups.com</a>.<br>
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/adf02f9b-7da4-4630-9bcb-b5b25ef05bc5%40googlegroups.com?utm_medium=email&utm_source=footer" rel="nofollow" target="_blank">https://groups.google.com/d/msgid/cp2k/adf02f9b-7da4-4630-9bcb-b5b25ef05bc5%40googlegroups.com</a>.<br>
</blockquote></div>
</blockquote></div></div>
<p></p>
-- <br>
You received this message because you are subscribed to the Google Groups "cp2k" group.<br>
To unsubscribe from this group and stop receiving emails from it, send an email to <a rel="nofollow">c...@googlegroups.com</a>.<br>
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/c2ee89a4-feaf-4d8a-b5be-b7414bcdc1e6%40googlegroups.com?utm_medium=email&utm_source=footer" rel="nofollow" target="_blank">https://groups.google.com/d/msgid/cp2k/c2ee89a4-feaf-4d8a-b5be-b7414bcdc1e6%40googlegroups.com</a>.<br>
</blockquote></div>
</blockquote></div>
</blockquote></div></div>
<p></p>
-- <br>
You received this message because you are subscribed to the Google Groups "cp2k" group.<br>
To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br>
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/26d633bc-e3de-4600-9330-a07ea4145bd2%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/26d633bc-e3de-4600-9330-a07ea4145bd2%40googlegroups.com</a>.<br>
</blockquote></div>