<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><a href="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/QMMM/LINK.html#desc_ALPHA_IMOMM" class="">http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/QMMM/LINK.html#desc_ALPHA_IMOMM</a><div class=""><br class=""></div><div class=""><br class=""><div style=""><blockquote type="cite" class=""><div class="">On 08 Jul 2015, at 12:19, Vojtech Mlynsky <<a href="mailto:vojtech...@gmail.com" class="">vojtech...@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">Dear Teo,<div class=""><br class=""></div><div class="">.. thank you for fast reply!</div><div class=""><br class=""></div><div class="">Just one more thing concerning your note: "... you’ll have to specify the ratio between the classical equilibrium bond distance and the quantum one (with the kinds that you have specified)."</div><div class=""><br class=""></div><div class="">So, cutting, i.e., carbon-carbon (C-C) bond and replacing it with hydrogen (C-H) means that the distance ratio is ~0.69. What is the keyword for specify that, 'CORR_RADIUS' ? But that keyword seems to require exact value in units, no ratio .. Maybe QMMM_SCALE_FACTOR?</div><div class=""><br class=""></div><div class="">Thank you again and apologize me for misunderstanding that.</div><div class=""><br class=""></div><div class="">With best,</div><div class="">Vojtech.</div></div><div class=""><br class="webkit-block-placeholder"></div>
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