<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Ciao Diego, <div class=""><br class=""></div><div class="">you may try to use a distance restraint. The former can be specified in FORCE_EVAL/SUBSYS/COLVAR </div><div class="">and the latter enforced via MOTION/CONSTRAINT/COLLECTIVE/RESTRAINT. </div><div class=""><br class=""></div><div class="">Greetings, </div><div class="">TDK<br class=""><div><br class=""><blockquote type="cite" class=""><div class="">Am 05.01.2021 um 20:47 schrieb Diego Gomez <<a href="mailto:diego....@gmail.com" class="">diego....@gmail.com</a>>:</div><br class="Apple-interchange-newline"><div class=""><p class="">I'm trying to run a gas phase cluster calculation in CP2K. I want to create an outside force to force water molecules that are in the simulation within a radius of a central ion. I want to create a spherical cell of a given radius λ, fix the ion in the center and then run QMMD using the waters.</p><p class="">Does anyone know how to create a spherical cell or a better way to impose this clustering constraint λ?</p><div class=""><br class="webkit-block-placeholder"></div>
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