<p>Hi,</p>
<p>The error message says the number of atoms in the first frame is not what was expected. That indicates the reference structure didn't match, which suggests the pdb file with the fitted structures wasn't used as reference. Solution: give the fitted structures both as reference (-s) and as trajectory (-f) with trjconv.</p>
<p>Cheers,</p>
<p>Tsjerk</p>
<p><blockquote type="cite">On Feb 12, 2011 2:19 AM, "Mark Abraham" <<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>> wrote:<br><br>
<div text="#000000" bgcolor="#ffffff"><p><font color="#500050">On 12/02/2011 3:45 AM, Kwee Hong wrote:
>
> Hi Mark,
>
> I tried but with this error:
>
> Fatal erro...</font></p>
OK. I don't know why two frames with different numbers of atoms are
written. Maybe g_confrms -one is useful. Or you can chop apart the
PDB by hand in a text editor.<br><font color="#888888">
<br>
Mark</font><p><font color="#500050">
> ________________________________
> From: Mark Abraham <<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>>
> To: Discussion...</font></p></div>
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