<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; ">If you run the attached input file what you get is:<DIV><BR class="khtml-block-placeholder"><DIV>GENERATE| ERROR in connectivity generation!</DIV><DIV> GENERATE| The THRESHOLD to select possible bonds is bigger than the MAX bondlength</DIV><DIV> GENERATE| used to build the neighbors lists. Increase the BONDLENGTH_MAX patameter</DIV><DIV> GENERATE| Present THRESHOLD ( 6.402392 ). Present BONDLENGTH_MAX ( 5.669178 )</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Now, we all agree that cp2k has a not so user friendly feedback error system.. But in few cases, like this one, it is! </DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Recipe:</DIV><DIV>(1) Open a browser on the website: <A href="http://cp2k.berlios.de/input/">http://cp2k.berlios.de/input/</A></DIV><DIV>(2) Digit the keyword BONDLENGTH_MAX in the search field and click "Search"</DIV><DIV>(3) Click on the first (and only) link you get from the search...</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Now you know where this keyword can be defined. </DIV><DIV>(4) just follow automatically the suggestions:</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV> BONDLENGTH_MAX 7.0</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>the input works!</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Obviously there's no error proof topology generator in this world, so if you really want to be sure about the</DIV><DIV>topology of your system provide it externally through PSF.</DIV><DIV> </DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV><SPAN></SPAN></DIV></DIV></BODY></HTML>