<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div><span>Hello dear GMX Users,</span></div><div><br><span></span></div><div>Through scripting, I have an itp-like file to restrain all atoms that are NOT within a 30 angstroms radius from the center (a trimmer + water + ions).</div><div>This selection includes both protein and solvent atoms, which may be a problem when assigning this selection to the TOP file.</div><div>Is there a way to include this whole selection into the top file directly? Where/how could that be? <br></div><div>I've searched for solutions for a while, with no avail.<br></div><div><br></div><div>Thanks,</div><div><br><span></span></div><div><span><br></span></div><div> </div><div><font size="1"><i></i></font><font size="1"><i></i></font><div style="font-family: times new roman,new york,times,serif; font-size: 14pt;"><style><!--filtered
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{margin:70.85pt 3.0cm 70.85pt 3.0cm;}div.Section1 {}--></style><div class="MsoNormal" style="margin-bottom: 0.0001pt; line-height: normal;"><span style="font-size: 8pt;" lang="PT-BR"><br></span></div><div class="MsoNormal" style="margin-bottom: 0.0001pt; line-height: normal;"><span style="font-size: 8pt;" lang="PT-BR">---</span></div> <div class="MsoNormal" style="margin-bottom: 0.0001pt; line-height: normal;"><span style="font-size: 8pt;" lang="PT-BR"> <font size="1"> </font></span></div><font size="1">Ricardo O. S. Soares , PhD Student.<br>Group of Biological Physics - Department of Physics & Chemistry<br>Faculty of Pharmaceutical Sciences at Ribeirão Preto - University of São Paulo.</font><span style="font-size: 8pt;" lang="PT-BR"> </span> </div></div></div></body></html>