<div dir="ltr">I seem to remember that VMD wouldn't parse the header of the velocity dcd file that cp2k produced. I had to edit it with hexedit or similar.<div><br></div><div>I can't remember details of the top of my head.</div><div><br></div><div>Matt<br><br>On Thursday, January 21, 2016 at 3:17:58 PM UTC, Matthias Krack wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Hi Norman,<br><br>please could you provide an example. I tried v2.6.0 and it produced a (binary) velocity DCD file which could be dumped and/or converted using <a href="https://sourceforge.net/p/cp2k/code/HEAD/tree/trunk/cp2k/tools/dumpdcd.f90" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\75https%3A%2F%2Fsourceforge.net%2Fp%2Fcp2k%2Fcode%2FHEAD%2Ftree%2Ftrunk%2Fcp2k%2Ftools%2Fdumpdcd.f90\46sa\75D\46sntz\0751\46usg\75AFQjCNELK556A97SHrn05CvdQ_NtLpmL8A';return true;" onclick="this.href='https://www.google.com/url?q\75https%3A%2F%2Fsourceforge.net%2Fp%2Fcp2k%2Fcode%2FHEAD%2Ftree%2Ftrunk%2Fcp2k%2Ftools%2Fdumpdcd.f90\46sa\75D\46sntz\0751\46usg\75AFQjCNELK556A97SHrn05CvdQ_NtLpmL8A';return true;">dumpdcd.f90 </a>for instance.<br><br>Cheers<br><br>Matthias<br><br><br>On Thursday, 21 January 2016 14:41:07 UTC+1, NORMAN GEIST  wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear experts,<br><br>I noticed that CP2k (Version 2.6.0) will output broken DCD VELOCITY files. I used the following to enable<br>velocity output in DCD format:<br><br>&VELOCITIES<br>    LOG_PRINT_KEY T<br>    FORMAT DCD<br>    &EACH<br>      MD 10<br>    &END EACH<br>    ADD_LAST NUMERIC<br> &END VELOCITIES<br><br>Cheers<br><br>Norman Geist<br></div></blockquote></div></blockquote></div></div>