Thanks Matthias.  That's what I was thinking but wanted to confirm.  What is the difference between the two prints?<br><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Thursday, February 11, 2021 at 10:53:42 AM UTC-5 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">Hello Joe<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">It’s the first option. The print key in the &MOTION section prints the forces in each time step along an MD trajectory to an (frc) file similar to the atomic
 positions (pos) or velocities (vel).<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">c...@googlegroups.com</a> <<a href data-email-masked rel="nofollow">c...@googlegroups.com</a>>
<b>Im Auftrag von </b><a href data-email-masked rel="nofollow">mdsi...@gmail.com</a><br>
<b>Gesendet:</b> Donnerstag, 11. Februar 2021 15:35<br>
<b>An:</b> cp2k <<a href data-email-masked rel="nofollow">c...@googlegroups.com</a>><br>
<b>Betreff:</b> [CP2K:14749] output forces on atoms during MD<u></u><u></u></span></p>
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<p class="MsoNormal"><u></u> <u></u></p>
<p class="MsoNormal">Hello,<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">What is the correct method to output the forces on atoms during 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">It seems to have two different print areas:<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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Section path: <a href="https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT.html" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT.html&source=gmail&ust=1613147001165000&usg=AFQjCNFcoItn7iMBXahBXl-44Ce8x6Vaog">CP2K_INPUT</a> / <a href="https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/MOTION.html" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/MOTION.html&source=gmail&ust=1613147001165000&usg=AFQjCNHsm1XoQnFtfXQKx52uZe-qrfQpcg">MOTION</a> / <a href="https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/MOTION/PRINT.html" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/MOTION/PRINT.html&source=gmail&ust=1613147001165000&usg=AFQjCNGZ2oJmXXFfEGzwAhqlU1bm4RWbIg">PRINT</a> / <a href="https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/MOTION/PRINT/FORCES.html" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/MOTION/PRINT/FORCES.html&source=gmail&ust=1613147001165000&usg=AFQjCNFrt3RnGwVVv6Wn9p9qwjcTVywJ5Q">FORCES</a><u></u><u></u></li></ul>
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Section path: <a href="https://manual.cp2k.org/trunk/CP2K_INPUT.html" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/trunk/CP2K_INPUT.html&source=gmail&ust=1613147001165000&usg=AFQjCNEcAGAgcO65Bo_L0R0EvYa18VEJUw">CP2K_INPUT</a> / <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html&source=gmail&ust=1613147001165000&usg=AFQjCNE9Pt-aWPL-aC74dPRA7iNdUgZdzA">FORCE_EVAL</a> / <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/PRINT.html" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/PRINT.html&source=gmail&ust=1613147001165000&usg=AFQjCNG70J_rSkDwq3JYok8dE_oYF-Sd1A">PRINT</a> / <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/PRINT/FORCES.html" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/PRINT/FORCES.html&source=gmail&ust=1613147001165000&usg=AFQjCNHSQGILqj3xBw_XcUSJRfYU1xeNzA">FORCES</a><u></u><u></u></li></ul>
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<p class="MsoNormal">Thanks for the help,<u></u><u></u></p>
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<p class="MsoNormal">Joe<u></u><u></u></p>
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