<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=""><div class=""></div><div class="">Google won’t allow me to attach the topology file and restart file, saying that it is too large (>8MB).<br class=""><div><br class=""><blockquote type="cite" class=""><div class="">On 4 Mar 2021, at 13:41, Amami Haruka <<a href="mailto:amami...@gmail.com" class="">amami...@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class="">Hi,<div class="">I'm interested in bumping the QM/MM calculations in the QMMM for biochemical systems tutorial to a higher level of theory (e.g. BLYP-D3(BJ)/DZVP-MOLOPT-SR-GTH) and using GEEP to do QM/MM electrostatic interactions.</div><div class="">I have modified the monitor.inp from the tutorial to monitor_higher.inp to reflect this but the job will quit after </div><div class="">Translating the system in order to center the QM fragment in the QM box.</div><div class="">I have verified that the same input does work at the AM1 level. I wonder if I can have some help in fixing the input file? Thanks.</div><div class=""><br class=""></div><div class=""><br class="webkit-block-placeholder"></div>
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