Hi Rahul, <div><br></div><div>have you also tried by adding the KIND H?</div><div>Regards</div><div>Marcella<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Monday, April 12, 2021 at 6:05:15 AM UTC+2 rah...@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;"><div dir="ltr"><br><br><div class="gmail_quote"><div dir="ltr"><div class="gmail_quote"><div dir="ltr">Hello everyone,<br>Â Â I am new in CP2k and trying to do a QMMM calculation, while doing so I am getting the following error which, I tried to rectify by looking at some examples but couldn't able to figure it out. <br><div><br></div><div><div>*******************************************************************************</div><div>Â *Â Â ___Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â *</div><div>Â *Â /Â Â \Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â *</div><div>Â * [ABORT]Â No &KIND section was possible to associate to the atomic kind <H>. *</div><div>Â *Â \___/Â Â The KIND section were also scanned for the corresponding elementÂ *</div><div>Â *Â Â |Â Â <H>Â and for the DEFAULT section but no match was found. Check your *</div><div>Â *Â O/|Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â input file!Â Â Â Â Â Â Â Â Â Â Â Â Â Â *</div><div>Â * /| |Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â *</div><div>Â * / \Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â qs_kind_types.F:1514 *</div><div>Â *******************************************************************************</div></div><div><br></div><div>I am hereby attaching the input and output files for reference.<br><br>Thanks in advance.</div><div><br></div><div>Regards<br>Rahul</div><div><br style="color:rgba(0,0,0,0.87);font-family:Roboto,RobotoDraft,Helvetica,Arial,sans-serif;font-size:14px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><br></div></div> </div></div> </div></div> </blockquote></div>