Thanks so much , Justin. I will try. <br>-Xianghong Qi<br><br><div class="gmail_quote">On Wed, Oct 22, 2008 at 7:41 AM, Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div class="Ih2E3d"><br>
<br>
xianghong qi wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Thanks, so how to edit a residue name ? I am confused. sorry about such simple question. <br>
</blockquote>
<br></div>
Use a text editor. Be sure to keep the formatting right when doing so:<br>
<br>
<a href="http://www.wwpdb.org/documentation/format32/sect9.html" target="_blank">http://www.wwpdb.org/documentation/format32/sect9.html</a><br>
<br>
-Justin<br>
<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
-Xianghong Qi<div class="Ih2E3d"><br>
<br>
On Tue, Oct 21, 2008 at 9:01 PM, Mark Abraham <<a href="mailto:Mark.Abraham@anu.edu.au" target="_blank">Mark.Abraham@anu.edu.au</a> <mailto:<a href="mailto:Mark.Abraham@anu.edu.au" target="_blank">Mark.Abraham@anu.edu.au</a>>> wrote:<br>
<br>
xianghong qi wrote:<br>
<br>
Hello, everyone,<br>
I want to create a pdb file for methane pair . I can make<br>
methane pair from MOE and then save to pdb file format without<br>
any residue name there.<br>
The question is that I can't convert pdb file to .gro file from<br>
gromacs without residue name. Anyone has any idea about this<br>
question. I appreciate<br>
your help.<br>
<br>
<br>
You don't need a .gro file for itself.. see<br>
<a href="http://wiki.gromacs.org/index.php/Coordinate_File#On_the_need_for_a_.gro_file" target="_blank">http://wiki.gromacs.org/index.php/Coordinate_File#On_the_need_for_a_.gro_file</a><br>
<br>
You'll need a residue name to get a topology defined, so edit one in.<br>
<br>
Mark<br>
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========================================<br>
<br>
Justin A. Lemkul<br>
Graduate Research Assistant<br>
Department of Biochemistry<br>
Virginia Tech<br>
Blacksburg, VA<br>
jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> | (540) 231-9080<br>
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