Thanks a lot Justin.<br><br><div class="gmail_quote">On Tue, May 18, 2010 at 4:36 PM, 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="im"><br>
<br>
Anirban Ghosh wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<br>
Hi ALL,<br>
<br>
I want to calculate the distance between a number of atom pairs using g_dist. For this I want to submit the job through a submission script so that g_dist calculates the distances for all the pairs one after the other. But I need to select the two groups from an index file. How can I give this selection of groups in the script, instead of interactively? Any suggestion is welcome.<br>
<br>
</blockquote>
<br>
</div><a href="http://www.gromacs.org/Documentation/How-tos/Making_Commands_Non-Interactive" target="_blank">http://www.gromacs.org/Documentation/How-tos/Making_Commands_Non-Interactive</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;">
Regards,<br>
<br>
Anirban<br>
<br>
</blockquote><div><div></div><div class="h5">
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-- <br>
========================================<br>
<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> | (540) 231-9080<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>
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