<div dir="ltr"><div><div><div><br clear="all"></div>Dear <span tabindex="-1" id=":20x.1" style class="">GROMACS</span> developers,<br><br></div>Does anyone know if the g_<span tabindex="-1" id=":20x.2" style class="">hbond</span> -shell option is fixed in the latest <span tabindex="-1" id=":20x.3" style class="">GMX</span> tools version? Do you also know if the selection of atoms within the <span class="">shell</span> is updated in every frame? I did a few tests with <span tabindex="-1" id=":20x.4" style class="">GMX</span> Tools v4.6 and didn't see any change in the acceptors and donors when I used the same starting point and cutoff, but different trajectory lengths.<br><br></div>thanks,<br>Thomas<br><div><div><br><br><div>-- <br><div dir="ltr">
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<p style="margin-bottom:0cm" align="LEFT"><span style="font-family:arial,helvetica,sans-serif"><font>Thomas <span tabindex="-1" id=":20x.5" style class="">Evangelidis</span></font></span></p>
<p style="margin-bottom:0cm" align="LEFT"><span style="font-family:arial,helvetica,sans-serif"><font>PhD student</font></span></p><span style="font-family:arial,helvetica,sans-serif"><font><span style="color:rgb(0,0,0)">University of Athens<br>Faculty of Pharmacy<br>Department of Pharmaceutical Chemistry<br><span tabindex="-1" id=":20x.6" style class="">Panepistimioupoli</span>-<span tabindex="-1" id=":20x.7" style class="">Zografou</span><br>157 71 Athens<br>GREECE</span></font></span><br><p style="margin-bottom:0cm" align="LEFT"><span style="font-family:arial,helvetica,sans-serif"><font>email: <a href="mailto:tevang@pharm.uoa.gr" target="_blank"><span tabindex="-1" id=":20x.8" style class="">tevang</span>@<span tabindex="-1" id=":20x.9" style class="">pharm</span>.<span tabindex="-1" id=":20x.10" style class="">uoa</span>.gr</a></font></span></p>
<p style="margin-bottom:0cm" align="LEFT"><span style="font-family:arial,helvetica,sans-serif"><font> <a href="mailto:tevang3@gmail.com" target="_blank">tevang3@gmail.com</a></font></span></p>
<p style="margin-bottom:0cm" align="LEFT"><span style="font-family:arial,helvetica,sans-serif"><font><br>website:
<a href="https://sites.google.com/site/thomasevangelidishomepage/" target="_blank"><span tabindex="-1" id=":20x.11" style class="">https</span>://sites.google.com/site/<span tabindex="-1" id=":20x.12" style class="">thomasevangelidishomepage</span>/</a></font></span></p>
<p style="margin-bottom:0cm" align="LEFT"><span style="font-family:arial,helvetica,sans-serif"><font>===============================================================</font></span><br><span style="font-family:arial,helvetica,sans-serif"></span><br><i>Physics is the only real science. The rest are just stamp collecting.</i><font><span style="font-weight:normal"><span dir="auto"><br></span></span></font></p><p style="margin-bottom:0cm" align="LEFT"><i><font><span style="font-weight:normal"><span dir="auto">- Ernest Rutherford</span></span></font></i></p><p style="margin-bottom:0cm" align="LEFT">
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