<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: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;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 href="javascript:" target="_blank" gdf-obfuscated-mailto="ZVF1mXPvBgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">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>

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