i have N number of selection ie it should run as a batch. like its should select group1: 0 and select group2: 32, this is 1st run then after this next run should be select group1: 1 and select group2: 32 and so on.<br><br>
<div class="gmail_quote">On Wed, Sep 28, 2011 at 10:56 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="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div class="im"><br>
<br>
aiswarya pawar wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
justin,<br>
<br>
if i use echo command then i need to run again and again for each selection right? how can i run as whole bunch.<br>
<br>
</blockquote>
<br></div>
I don't understand your question. You can write a trivial shell script for all of your analysis, e.g.:<br>
<br>
#!/bin/bash<br>
<br>
echo 4 4 | g_rms -f traj.xtc -s topol.tpr<br>
<br>
echo 1 | g_gyrate -f traj.xtc -s topol.tpr<br>
<br>
(etc)<br>
<br>
-Justin<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Thanks<div class="im"><br>
<br>
On Wed, Sep 28, 2011 at 10:31 PM, Justin A. Lemkul <<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a> <mailto:<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a>>> wrote:<br>
<br>
<br>
<br>
aiswarya pawar wrote:<br>
<br>
Hi users,<br>
<br>
I have n number of program to run so my index file is huge, i<br>
want to know if i use the command option g_energy -flags <<br>
choice.txt , it takes up the numbers given right? but if i have<br>
n numbers in the choice txt. how would it take in each run , ie<br>
it will take 1st two numbers and what about the rest?<br>
<br>
<br>
You should only provide the chosen number(s), otherwise the program<br>
will try to read all of them. In the case where you have many<br>
different programs to run, it is vastly easier to run, for instance:<br>
<br>
echo x y | g_program -flags<br>
<br>
-Justin<br>
<br>
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<br>
Justin A. Lemkul<br>
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ICTAS Doctoral Scholar<br>
MILES-IGERT Trainee<br>
Department of Biochemistry<br>
Virginia Tech<br>
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==============================<u></u>==========<br>
<br>
Justin A. Lemkul<br>
Ph.D. Candidate<br>
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Department of Biochemistry<br>
Virginia Tech<br>
Blacksburg, VA<br>
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