Hi Alin, <div><br></div><div>Thank you for the fast response and the scripts. It is going to help a lot.</div><div><br>Janos<br><br>2012. október 1., hétfő 13:03:54 UTC+2 időpontban Alin Marin Elena a következőt írta:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">
<div style="font-family:'DejaVu Sans';font-size:10.5pt;font-weight:400;font-style:normal">
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">Hi Janos,</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px"> </p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">Here it is... this is a dirty script I wrote for pt.</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">it is bash and python... and of course you will have to adapt for your purpose.</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px"> </p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">regards,</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">Alin</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px"> </p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px"> </p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">On Friday 28 Sep 2012 07:52:02 <a href="javascript:" target="_blank" gdf-obfuscated-mailto="izHl0r9YFDgJ">Jano...@googlemail.com</a> wrote:<br></p>
<p style="margin-top:12px;margin-bottom:12px;margin-left:40px;margin-right:40px;text-indent:0px">Dear All!</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:40px;margin-right:40px;text-indent:0px"><br>Is there anyway to perform REMD with CP2K? Either by the program if I missed it, or by applying some external ready to use script/program?</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:40px;margin-right:40px;text-indent:0px"><br></p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:40px;margin-right:40px;text-indent:0px">Best wishes,</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:40px;margin-right:40px;text-indent:0px"><br>Janos </p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">-- <br>You received this message because you are subscribed to the Google Groups "cp2k" group.<br>To view this discussion on the web visit <a href="https://groups.google.com/d/msg/cp2k/-/H3nJkzKXdYkJ" target="_blank"><span style="text-decoration:underline;color:#0057ae">https://groups.google.com/d/<wbr>msg/cp2k/-/H3nJkzKXdYkJ</span></a>.<br>To post to this group, send email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="izHl0r9YFDgJ">cp...@googlegroups.com</a>.<br>To unsubscribe from this group, send email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="izHl0r9YFDgJ">cp2k+uns...@googlegroups.<wbr>com</a>.<br>For more options, visit this group at <a href="http://groups.google.com/group/cp2k?hl=en" target="_blank">http://groups.google.com/<wbr>group/cp2k?hl=en</a>.<br></p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px"><br><br></p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">-- </p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">Without Questions there are no Answers!</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">______________________________<wbr>______________________________<wbr>__________</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">Alin Marin ELENA</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">Advanced Molecular Simulation Research Laboratory</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">School of Physics, University College Dublin</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">----</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">Ardionsamblú Móilíneach Saotharlann Taighde</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">Scoil na Fisice, An Coláiste Ollscoile, Baile Átha Cliath</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px"> </p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">------------------------------<wbr>------------------------------<wbr>-----------------------</p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px"><a href="http://alin.elenaworld.net" target="_blank">http://alin.elenaworld.net</a></p>
<p style="margin-top:0px;margin-bottom:0px;margin-left:0px;margin-right:0px;text-indent:0px">______________________________<wbr>______________________________<wbr>__________</p></div></blockquote></div>