Hi Matthias,<div><br></div><div>No problem, thanks for getting back to me anyway.</div><div><br></div><div>Best wishes,</div><div>Matt</div><div><br></div><div><br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Friday, 29 October 2021 at 14:37:05 UTC+1 Matthias Krack 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;">
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<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Hi Matt<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Such an automatic feature is not implemented in CP2K. You can rename the file after each run to avoid too large files and CP2K will continue to write to a new
file for the next run.<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Matthias<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"><u></u> <u></u></span></p>
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<p class="MsoNormal"><b><span lang="DE" style="font-size:11.0pt;font-family:"Calibri",sans-serif">Von:</span></b><span lang="DE" style="font-size:11.0pt;font-family:"Calibri",sans-serif"> <a href data-email-masked rel="nofollow">cp...@googlegroups.com</a> <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>>
<b>Im Auftrag von </b>Matt D<br>
<b>Gesendet:</b> Donnerstag, 28. Oktober 2021 17:55<br>
<b>An:</b> cp2k <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>><br>
<b>Betreff:</b> [CP2K:16140] Create new trajectory file every n steps during MD<u></u><u></u></span></p>
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<p class="MsoNormal">Hi everyone,<u></u><u></u></p>
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<p class="MsoNormal">Is there a keyword to control the size of a "*-<a href="http://pos-1.xyz" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en-GB&q=http://pos-1.xyz&source=gmail&ust=1635868182294000&usg=AFQjCNEJHrPycAu1xWPnv_9U_JDMYBPzFw">pos-1.xyz</a>" output trajectory of an MD run?<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">I would like to CP2K to write a new file every n steps of the run, rather than continually appending the trajectory files as they get quite big.<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">Thanks!<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">Best wishes,<u></u><u></u></p>
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<p class="MsoNormal">Matt<u></u><u></u></p>
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