What I asked is, if I have to reorganise the pdb file, or renumber the residues, etc.<br><br><div><span class="gmail_quote">On 6/13/06, <b class="gmail_sendername">Mark Abraham</b> <<a href="mailto:Mark.Abraham@anu.edu.au">
Mark.Abraham@anu.edu.au</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Tamas Horvath wrote:<br>> So if I generate an .itp with PRODRG, and link it in the .top file, then
<br>> grompp can use the original .pdb file? Or it's not that simple?<br><br>The order of the [ molecules ] section will have to correspond to the<br>order in the structure file you supply with -c to grompp, but if you
<br>read the grompp manpage it is obvious that the format of that structure<br>file is irrelevant.<br><br>Mark<br>_______________________________________________<br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">
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