Hi Leila,<br><br>I am also have a task to calculate H-bonds frequency through the over all trajectory in gromacs. Please can you send me Justin's script. If he does not mind.<br><br>Yours sincerely,<br>Olga<br><br><div class="gmail_quote">
2010/11/29 leila karami <span dir="ltr"><<a href="mailto:karami.leila1@gmail.com">karami.leila1@gmail.com</a>></span><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<span style="font-family: arial,helvetica,sans-serif;">Dear Mark and gromacs users</span><br style="font-family: arial,helvetica,sans-serif;"><pre style="font-family: arial,helvetica,sans-serif;">thanks for your time and consideration.<br>
<br>you said by multiplying the existence functions for hbonds between protein and water and the hbonds between water <br>and DNA, then using Justin's script, I can obtain percentage each water medited hydrogen bond during trajectory. <br>
and also you said I need to create a corresponding index file too.<br><br>I don't know where should I start for multiply two existence functions?<br><br>please explain about it more.<br><br>any help will highly appreciated.<br>
<br> <br><br></pre><h1 style="font-family: arial,helvetica,sans-serif;"><br></h1><br style="font-family: arial,helvetica,sans-serif;" clear="all"><br style="font-family: arial,helvetica,sans-serif;"><span style="font-family: arial,helvetica,sans-serif;">-- </span><br style="font-family: arial,helvetica,sans-serif;">
<pre style="font-family: arial,helvetica,sans-serif;">Leila Karami<br>Ph.D. student of Physical Chemistry<br>K.N. Toosi University of Technology<br>Theoretical Physical Chemistry Group</pre><br style="font-family: arial,helvetica,sans-serif;">
<br>--<br>
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