<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Hello,<div class=""><br class=""></div><div class="">as long as you have a sufficiently good force-field for the slab you can do that.</div><div class="">In your specific case, it should be enough to have parameters that capture most of the interaction within that material.</div><div class=""><br class=""></div><div class="">Did you search in literature for available classical force-field for your slab material ?</div><div class=""><br class=""></div><div class="">Teo</div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On 03 Jul 2015, at 07:35, Geng Sun <<a href="mailto:sungen...@gmail.com" class="">sungen...@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">Hello everyone <div class=""><br class=""></div><div class=""> I want to study supported metal cluster using molecular dynamics.</div><div class=""><br class=""></div><div class=""> Here, the substrate is represented by a slab which is metal oxide, and the metal cluster is put on the surface of the slab.</div><div class=""><br class=""></div><div class=""> I want to use the QMMM to reduce the computational cost by using the force field to describe the interaction of the bottom layers of slab model. The upper layers of slab</div><div class=""> and the metal atoms are left for DFT.</div><div class=""><br class=""></div><div class=""> Is that possible for CP2K to do the QMMM simulation in such case? If so, what is the most relevant parameters. </div><div class=""><br class=""></div><div class=""> Thanks in advance !</div><div class=""><br class=""></div><div class=""> Geng Sun</div><div class=""> </div></div><div class=""><br class="webkit-block-placeholder"></div> -- <br class=""> You received this message because you are subscribed to the Google Groups "cp2k" group.<br class=""> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+uns...@googlegroups.com" class="">cp2k+uns...@googlegroups.com</a>.<br class=""> To post to this group, send email to <a href="mailto:cp...@googlegroups.com" class="">cp...@googlegroups.com</a>.<br class=""> Visit this group at <a href="http://groups.google.com/group/cp2k" class="">http://groups.google.com/group/cp2k</a>.<br class=""> For more options, visit <a href="https://groups.google.com/d/optout" class="">https://groups.google.com/d/optout</a>.<br class=""> </div></blockquote></div><br class=""></div></body></html>