Thanks to Azoia and nayeem<br><br>The solution from Azoia is perfectly working :)<br><br>Thx. <br><br><div class="gmail_quote">2012/2/10 Nuno Azoia <span dir="ltr"><<a href="mailto:nazoia@gmail.com">nazoia@gmail.com</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">There is a more direct way. In the script just use<br>
g_msd -f *.xtc -s *.tpr -o *.xvg -rmcomm <<EOF<br>
Number<br>
Number<br>
EOF<br>
<br>
where Number denotes the group number, or the group name, matching the<br>
definition on the index file. It will work in both ways. It can be<br>
used with one, two , or the number of "answers" you need to supply.<br>
<br>
Nuno Azoia<br>
<div class="HOEnZb"><div class="h5"><br>
On Fri, Feb 10, 2012 at 11:54 AM, shahid nayeem <<a href="mailto:msnayeem@gmail.com">msnayeem@gmail.com</a>> wrote:<br>
> Create a file named input.g_rms. write the group number in this file. In<br>
> your shell script after command line write <input.g_rms. when the command is<br>
> executed in shell the file input.g_rms having group number will be read.<br>
> Hope it works.<br>
> Shahid nayeem<br>
><br>
> On Fri, Feb 10, 2012 at 4:19 PM, Kiwoong Kim <<a href="mailto:ilmarejoe@gmail.com">ilmarejoe@gmail.com</a>> wrote:<br>
>><br>
>> Hi,<br>
>><br>
>> I'm not good at shell programming now.<br>
>> For the simplicity, I wrote down all the gromacs commands in one shell<br>
>> script.<br>
>><br>
>> It means that if I execute the .sh file, then every works including graphs<br>
>> used for analysis are done.<br>
>> However, when there are g_msd -f *.xtc -s *.tpr -o *.xvg -rmcomm, I have<br>
>> to select the groups manually.<br>
>> This is quite inconvenient...<br>
>><br>
>> Is there any way to handle this??<br>
>><br>
>> Thanks in advance<br>
>><br>
>> --<br>
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><br>
><br>
><br>
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<br>
<br>
<br>
</div></div><span class="HOEnZb"><font color="#888888">--<br>
Nuno Gonçalo Azoia Lopes<br>
<br>
Rua Nascente, nº 25<br>
4705-473 Escudeiros<br>
<br>
Tel: 253 683 198<br>
Móvel: 965 382 487<br>
</font></span><div class="HOEnZb"><div class="h5">--<br>
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