<div dir="ltr"><br> Hi Justin,<br><br>Thank you for quick answer, but I don't have the .tpr file, Is there any other way?<br><br><br><br><div class="gmail_quote">On Wed, Jun 1, 2011 at 11:13 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="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div class="im"><br>
<br>
Justin A. Lemkul wrote:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<br>
<br>
Mona Habibi wrote:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Hi,<br>
I have a single file in .gro format and I want to change it to pqr format.<br>
I was wondering if there is anyway to make it?<br>
I tried to write the file with exactly the same format of pqr , but VMD can not read my file.<br>
</blockquote>
<br>
editconf -mead outputs a .pqr file from an input coordinate (.gro, .pdb, etc) file.<br>
</blockquote>
<br></div>
...although in order to write all the necessary information, you would need a .tpr file. A .gro contains only coordinates, not charges, etc.<br><font color="#888888">
<br>
-Justin</font><div><div></div><div class="h5"><br>
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-- <br>
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<br>
Justin A. Lemkul<br>
Ph.D. Candidate<br>
ICTAS Doctoral Scholar<br>
MILES-IGERT Trainee<br>
Department of Biochemistry<br>
Virginia Tech<br>
Blacksburg, VA<br>
jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> | <a href="tel:%28540%29%20231-9080" value="+15402319080" target="_blank">(540) 231-9080</a><br>
<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</a><br>
<br>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br><div dir="ltr">Mona Habibi<br>Ph.D student<br>Biological and Condensed Matter Physics Group,<br>
Dept. of Applied Mathematics, the University of Western Ontario,<br>
1151 Richmond St. North, London (ON), Canada N6A 5B7<br>
Email: <a href="mailto:mhabibi2@uwo.ca" target="_blank">mhabibi2@uwo.ca</a></div><br>
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