<div dir="ltr"><div><div><div>Hi,<br><br></div>try  
            <big><a href="http://manual.cp2k.org/cp2k-2_6-branch/CP2K_INPUT.html" target="_blank">CP2K_INPUT</a> /
               <a href="http://manual.cp2k.org/cp2k-2_6-branch/CP2K_INPUT/FORCE_EVAL.html" target="_blank">FORCE_EVAL</a> /
               <a href="http://manual.cp2k.org/cp2k-2_6-branch/CP2K_INPUT/FORCE_EVAL/QMMM.html" target="_blank">QMMM</a> /
               <a href="http://manual.cp2k.org/cp2k-2_6-branch/CP2K_INPUT/FORCE_EVAL/QMMM/PRINT.html" target="_blank">PRINT</a> /
               <a href="http://manual.cp2k.org/cp2k-2_6-branch/CP2K_INPUT/FORCE_EVAL/QMMM/PRINT/IMAGE_CHARGE_INFO.html" target="_blank">IMAGE_CHARGE_INFO</a><br><br></big></div><big>and grep for "Image charges [a.u.] after QMMM calculation:".<br><br></big></div><big>Dorothea<br></big></div><div class="gmail_extra"><br><div class="gmail_quote">2015-07-29 17:09 GMT+02:00 Frank von Horsten <span dir="ltr"><<a href="mailto:xxx.f...@gmail.com" target="_blank">xxx.f...@gmail.com</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear all,<div><br></div><div>Is there a way to print out the value of the image charges of a QM/MM calculation (<span style="color:rgb(0,0,0);font-family:'Times New Roman';font-size:medium"> </span><big style="font-family:monospace;font-size:13px;text-transform:uppercase;color:rgb(0,0,0)"><a href="http://manual.cp2k.org/cp2k-2_6-branch/CP2K_INPUT.html" target="_blank">CP2K_INPUT</a> / <a href="http://manual.cp2k.org/cp2k-2_6-branch/CP2K_INPUT/FORCE_EVAL.html" target="_blank">FORCE_EVAL</a> / <a href="http://manual.cp2k.org/cp2k-2_6-branch/CP2K_INPUT/FORCE_EVAL/QMMM.html" target="_blank">QMMM</a> / <a href="http://manual.cp2k.org/cp2k-2_6-branch/CP2K_INPUT/FORCE_EVAL/QMMM/IMAGE_CHARGE.html" target="_blank">IMAGE_CHARGE</a>)?</big></div><div><br></div><div>Thanks!</div><span class="HOEnZb"><font color="#888888"><div><br></div><div>Frank</div></font></span></div><span class="HOEnZb"><font color="#888888">

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