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<div><font style="font-family:Arial;font-size:10pt;">
<div><font style="font-family:Arial;font-size:10pt;">Dear Dj MG, the reasons
for that tends to infinity in the way you are asking. Seems to me first you
should get familiar with the input file structure.</font></div>
<div><font style="font-family:Arial;font-size:10pt;">For most of the
technical questions you may find an answer here https://www.cp2k.org/howto
just repeat the tutorials to get familiar with the input. </font></div>
<div><font style="font-family:Arial;font-size:10pt;">good luck!</font></div>
<div><font style="font-family:Arial;font-size:10pt;">Petko</font><br />
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</font></div>
<div><font size="2">=============================</font></div>
<div align="left"><font size="2">Assist. Prof. Dr. Petko St. Petkov <br />
Faculty of Chemistry and Pharmacy <br />
University of Sofia <br />
1126 Sofia, Bulgaria <br />
tel: +359 2 8161 433 </font><br />
website: <a
href="http://computationalcatalysis.eu/Joomla_1.6.1/index.php/assis-prof-dr-petko-st-petkov">
http://computationalcatalysis.eu</a></div>
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<blockquote style="PADDING-RIGHT: 0px; PADDING-LEFT: 5px; MARGIN-LEFT: 5px;
BORDER-LEFT: #000000 2px solid; MARGIN-RIGHT: 0px"> -----Original
Message-----<br />
From: Dj MG <gha...@gmail.com><br />
To: cp2k <...@googlegroups.com><br />
Date: Tue, 12 Jul 2016 08:19:40 -0700 (PDT)<br />
Subject: [CP2K:7927] Grottus mechanism<br />
<br />
<div dir="ltr">Hello cp2k lovers. <br />
I have project which aims to simulate proton transfer through grottus
mechanism using aimd.<br />
I got a problem, why H atoms from H3O+ can't move to H2O?<br />
I attached my files below.<br />
<br />
<br />
Cheers Always<br />
...</div>
<div> </div>
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