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On 4/02/2012 12:56 AM, francesca vitalini wrote:
<blockquote
cite="mid:CAPRCF+KhpTMzh1tJnZiNaTbAWTtdvF22BRW7hEKshLWmhWm8OQ@mail.gmail.com"
type="cite">Yes but those tips are not for bash scripts... :(<br>
</blockquote>
<br>
You asked how to make the script always use the same
no-longer-interactive selection. That's the information on the page
we linked. The bash loop glue you'll have to work out for yourself
according to your needs :-) For example,<br>
<br>
for i in $(seq 0 4000); do<br>
echo 1 1 | trjconv -dump $i -s your.pdb -f the.xtc -o some.gro<br>
done<br>
<br>
Mark<br>
<br>
<blockquote
cite="mid:CAPRCF+KhpTMzh1tJnZiNaTbAWTtdvF22BRW7hEKshLWmhWm8OQ@mail.gmail.com"
type="cite"><br>
<br>
<br>
<div class="gmail_quote">2012/2/3 Mark Abraham <span dir="ltr"><<a
moz-do-not-send="true" href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div class="im">On 4/02/2012 12:21 AM, francesca vitalini
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi!<br>
I have to use the gromacs command trjconv to obtain a .gro
file from a .xtc and a .pdb file. I have to do it for
several files in a bash for loop so I'd rather prefer to
find a way to make my script type in the trjconv
interactive terminal always the same number for the
system. Any tips?<br>
</blockquote>
<br>
</div>
Check out <a moz-do-not-send="true"
href="http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts"
target="_blank">http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts</a><span
class="HOEnZb"><font color="#888888"><br>
<br>
Mark</font></span>
<div class="HOEnZb">
<div class="h5"><br>
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