<div dir="ltr"><div>That's great! I am completely new to CP2K and I want to make my QM/MM MD simulations meaningful <br></div><div>and correct with possibly full control on what I'm doing.</div><div><br></div><div>Dawid<br></div><br>W dniu piątek, 1 czerwca 2018 17:39:52 UTC+2 użytkownik Matt W napisał:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Yes, the QMMM doesn't affect the cutoff for the DFT part (maybe best to do it totally separately).<div><br></div><div>I've just put together some new material for an upcoming summer school that might be more useful / good follow up</div><div><br></div><div><a href="https://www.cp2k.org/exercises:2018_uol_school:converging_cutoff#" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fexercises%3A2018_uol_school%3Aconverging_cutoff%23\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFnbns9qRwydUPonTJUYgMdCJUF2Q';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fexercises%3A2018_uol_school%3Aconverging_cutoff%23\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFnbns9qRwydUPonTJUYgMdCJUF2Q';return true;">https://www.cp2k.org/<wbr>exercises:2018_uol_school:<wbr>converging_cutoff#</a></div><div><br></div><div>Matt<br><br>On Friday, June 1, 2018 at 4:35:30 PM UTC+1, Dawid das wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div>Dear CP2K Users,</div><div><br></div><div>Can I use this tutorial</div><div><br></div><div><a href="https://www.cp2k.org/howto:converging_cutoff" rel="nofollow" target="_blank" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fhowto%3Aconverging_cutoff\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFHeI16YFpXApR5fGmB8YOPSHi7nQ';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fhowto%3Aconverging_cutoff\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFHeI16YFpXApR5fGmB8YOPSHi7nQ';return true;">https://www.cp2k.org/howto:<wbr>converging_cutoff</a></div><div><br></div><div>to choose cutoffs within &DFT &MGRID for QM/MM calculations with ECOUPL GAUSS?</div><div><br></div><div>Best wishes,</div><div>Dawid Grabarek<br></div></div></blockquote></div></div></blockquote></div>