Dear Joe,<div><br></div><div>One possible way to enforce a similar behaviour is by employing</div><div> <a href="https://manual.cp2k.org/cp2k-8_2-branch/CP2K_INPUT.html">CP2K_INPUT</a> / <a href="https://manual.cp2k.org/cp2k-8_2-branch/CP2K_INPUT/FORCE_EVAL.html">FORCE_EVAL</a> / <a href="https://manual.cp2k.org/cp2k-8_2-branch/CP2K_INPUT/FORCE_EVAL/EXTERNAL_POTENTIAL.html">EXTERNAL_POTENTIAL</a><br></div><div>with a function of the type</div><div><p>1-(1-(y/y0)**n)/(1-(y/y0)**m)</p><p>with n<m  and both even numbers</p>regards</div><div>Marcella</div><div><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Saturday, December 11, 2021 at 5:12:39 PM UTC+1 mdsimula...@gmail.com 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;">Hello,<div><br></div><div>I would like to run an MD that is periodic in the XZ directions and have a relfective wall at a specified Y height.  Is that possible?</div><div><br></div><div>There is some reference to a wall in free energy methods but I don't think this is what I'm looking for.</div><div><br></div><div><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/MOTION/FREE_ENERGY/METADYN/METAVAR/WALL.html" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/trunk/CP2K_INPUT/MOTION/FREE_ENERGY/METADYN/METAVAR/WALL.html&source=gmail&ust=1639502789770000&usg=AFQjCNED6HQdUY8kpibSnesLaHSWA9Oimw">https://manual.cp2k.org/trunk/CP2K_INPUT/MOTION/FREE_ENERGY/METADYN/METAVAR/WALL.html</a><br></div><div><br></div><div>Thanks for the help,</div><div>Joe</div></blockquote></div>

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