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Hi,<br><br>My guess would be that you used the same residue number for all your 20 repeat units.<br>In that case pdb2gmx find 304 duplicate atoms in a single residue and deletes them.<br><br>Berk<br><br><hr id="stopSpelling">From: xiaowu759@hotmail.com<br>To: gmx-users@gromacs.org<br>Date: Sat, 14 Mar 2009 16:06:07 +0800<br>Subject: [gmx-users] "Now there are 16 atoms. Deleted 304 duplicates."<br><br>
<div><font size="2">Dear,</font></div>
<div><font size="2"> As a small test, I want to simulate polystyene(PS)
using GROMACS. Firstly, I obtain a pdb file of a PS chain consisting of
20 repeating unit(320 atoms totally ) and add the STY residues to the
.rtp files. while running pdb2gmx, the procedure was finished "successfully".
but I find that only 16 atoms are in the generated .gro and .top files. Have you
met this strange thing? Or tell me what I should do with it?</font></div>
<div><font size="2"></font> </div>
<div><font size="2">Best regards,</font></div>
<div><font size="2">Chaofu Wu</font></div>
<div><font size="2"><a href="mailto:xiaowu759@hotmail.com">xiaowu759@hotmail.com</a></font></div><br /><hr />What can you do with the new Windows Live? <a href='http://www.microsoft.com/windows/windowslive/default.aspx' target='_new'>Find out</a></body>
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