<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="">Dear Bijaya, <div class=""><br class=""></div><div class="">I would suggest the usage of UMBRELLA_INTEGRATION. In that section </div><div class="">the IDs of the respective COLVAR defined in SUBSYS/COLVAR needs to </div><div class="">be provided, For more details in the method, I found the review of Johannes </div><div class="">Kästner particularly valuable: <a class="epub-doi" aria-label="Digital Object Identifier" href="https://doi.org/10.1002/wcms.66" style="box-sizing: border-box; cursor: pointer; color: var(--wiley-blue-color); text-decoration: none; font-weight: 600; word-wrap: break-word; font-family: "Open Sans", icomoon, sans-serif; font-size: 14px;">https://doi.org/10.1002/wcms.66</a></div><div class=""><br class=""></div><div class="">Best, </div><div class="">Thomas Kühne<br class=""><div><br class=""><blockquote type="cite" class=""><div class="">Am 10.02.2024 um 11:35 schrieb bijaya pathak <<a href="mailto:bijayapathak85@gmail.com" class="">bijayapathak85@gmail.com</a>>:</div><br class="Apple-interchange-newline"><div class=""><div class="">Dear all, <br class=""></div><div class="">Can anyone help me with how to carry out umbrella sampling in CP2K ? I have done metadynamics previously but haven't tried Umbrella sampling. I have an input file but i'm not sure if its correct. <br class=""></div><div class="">My collective variable is center of mass to center of mass distance. <br class=""></div><div class="">Thanks and regards</div><div class="">Bijaya <br class=""></div><div class=""><br class="webkit-block-placeholder"></div>
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