<div>oooh, <i>touché</i>.</div><div><br /></div><div>Indeed, I used VMD to generated the geometry, which resulted in number being added to atoms.</div><div><br /></div><div>Thanks :)<br /></div><br /><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Sunday, August 4, 2024 at 12:18:04 PM UTC+2 Marcella Iannuzzi 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;">Hi Pierre,<div><br></div><div>Apparently, no atoms of the kind specified in the CV definition have been found.</div><div>Regards</div><div>Marcella</div><div><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Sunday, August 4, 2024 at 11:35:45 AM UTC+2 <a href data-email-masked rel="nofollow">pier...@gmail.com</a> 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>Hi, <br></div><div><br></div><div>I'm trying to perform a metadynamic using 3 collectives variables. However, I get a CPASSERT error coming from colvar_utils.F:611. Input and output are provided here: <a href="https://gist.github.com/pierre-24/8eb85ba711c3c992d00a169d2cd066a0" rel="nofollow" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://gist.github.com/pierre-24/8eb85ba711c3c992d00a169d2cd066a0&source=gmail&ust=1722932945021000&usg=AOvVaw1cD-IIAUpCZCD6j-dLUHZe">https://gist.github.com/pierre-24/8eb85ba711c3c992d00a169d2cd066a0</a></div><div><br></div><div>Anyone has an idea? Thanks in advance :)</div><div><br></div><div>Pierre<br></div></blockquote></div></blockquote></div>

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