<html><head><meta http-equiv="Content-Type" content="text/html charset=windows-1252"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;">and to reply to your question: not really. <div>DCD is an option.</div><div>Alternatively you may want to try PDB. It contains cell information + label but not scaled coordinates (again, PDB is easily digested by VMD).</div><div><br></div><div>Best,</div><div>Teo<br><div><br><div><div>On 11 Dec 2013, at 13:27, <a href="mailto:fxco...@gmail.com">fxco...@gmail.com</a> wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div dir="ltr"><div>Hi all,</div><div><br></div>I'm running QuickStep MD of triclinic unit cells, and dealing with the trajectory is not effortless, to say the least. I have to piece together the Cartesian coordinates from a .xyz files (MOTION / PRINT / TRAJECTORY) and the cell info (MOTION / PRINT / CELL). Is there any way to print directly fractional coordinates in the trajectory file, with cell information above (like a modified XYZ format). DCD is an option, but impractical since it doesn't contain labels…<div><br></div><div>Or does someone have an existing post-processing script for this task?<br><div><br></div><div>Cheers,</div><div>FX</div></div></div><div><br class="webkit-block-placeholder"></div> -- <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:cp2k+uns...@googlegroups.com">cp2k+uns...@googlegroups.com</a>.<br> To post to this group, send email to <a href="mailto:cp...@googlegroups.com">cp...@googlegroups.com</a>.<br> Visit this group at <a href="http://groups.google.com/group/cp2k">http://groups.google.com/group/cp2k</a>.<br> For more options, visit <a href="https://groups.google.com/groups/opt_out">https://groups.google.com/groups/opt_out</a>.<br> </blockquote></div><br></div></div></body></html>