<div>Hello Una,</div>
<div>I am not a expert... but I think you have to use NZ (without 1) for LYSH. I had a similar problem. I hope it is useful for you.</div>
<div> </div>
<div>bye</div>
<div> </div>
<div>Marcelo <br><br> </div>
<div><span class="gmail_quote">On 3/9/06, <b class="gmail_sendername">Una Bjarnadottir</b> <<a href="mailto:una.bjarnadottir@ucd.ie">una.bjarnadottir@ucd.ie</a>> wrote:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Dear users,<br><br>I keep getting this error when starting runs;<br><br>Opening library file aminoacids.dat
<br>-------------------------------------------------------<br>Program pdb2gmx, VERSION 3.3<br>Source code file: add_par.c, line: 221<br><br>Fatal error:<br>Atom NZ1 not found in rtp database in residue LYSH, it looks a bit like NZ
<br>-------------------------------------------------------<br><br>There is no Atom NZ1 in the .rtp file or the pdb file I'm using. No .top<br>file is generated so no run.<br><br>I would really appreaciate any comments on how to fix this.
<br><br>Cheers, Una<br><br><br><br>_______________________________________________<br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://www.gromacs.org/mailman/listinfo/gmx-users">
http://www.gromacs.org/mailman/listinfo/gmx-users</a><br>Please don't post (un)subscribe requests to the list. Use the<br>www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org
</a>.<br>Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php">http://www.gromacs.org/mailing_lists/users.php</a><br><br><br></blockquote></div><br>