<html><head><meta http-equiv="content-type" content="text/html; charset=utf-8"></head><body dir="auto">Hello,<div>What I would do is add a z-axis CV3 with a Gaussian width equal to 0 (SIGMA 0.0) and add a wall to CV3. That way you do not deposit hills on CV3 but still have a wall on it. </div><div>I hope that answers your question. <br>Best,<br><div dir="ltr">Quentin</div><div dir="ltr"><br><blockquote type="cite">Le 15 juil. 2022 à 05:07, Meili Liu <meililiu1024@gmail.com> a écrit :<br><br></blockquote></div><blockquote type="cite"><div dir="ltr">Dear CP2K users,<div><br></div><div>I want to check one point with you. I read section WALL in CP2K. This section is used to control the activation of walls on COLVAR during a metadynamic run. So when I used x-axis as CV1 and y-axis as CV2, could I achieve to add a WALL for z-axis (z-axis is not CV in current metadynamics run.)?</div><div>----------------------------------------------------------------------------------------------------------------------------------------<br></div><div><a href="https://manual.cp2k.org/trunk/index.html#CP2K_INPUT/MOTION/FREE_ENERGY/METADYN/METAVAR/WALL.html">Section WALL</a><ul><li><em>Controls the activation of walls on COLVAR during a metadynamic run.</em> [<a href="https://github.com/cp2k/cp2k/blob/master/src/input_cp2k_free_energy.F#L683">Edit on GitHub</a>]</li></ul><ul>----------------------------------------------------------------------------------------------------------------------------------------<br></ul><div>Many thanks in advance!</div><div><br></div><div><div><div><div>Best,</div><div>Meili</div><div>University of Miami</div></div></div></div></div>
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