On 6/07/2012 7:25 AM, lloyd riggs wrote:
Dear All,
Thank you,
I finally got this to work on the other PC after four hours...
i=1
while [ $i -le 1322 ]
do
g_energy -f traj_x.edr -o ${i}.xvg << EOF
${i}
EOF
i=$(($i+1))
done
Still can not figure out the difference, or why one works on one PC and not the
other?
Probably different bash versions, as your Ubuntu could well be more
recent than some version on a server at work. Try bash --version. If so,
poke your system admins to make an up-to-date bash available for you,
even if not as the system default.
Mark
Stephan (in Rainy Switzerland)
-------- Original-Nachricht --------
Datum: Thu, 5 Jul 2012 22:25:06 +0200
Von: Elton Carvalho <elto...@if.usp.br>
An: Discussion list for GROMACS users <gmx-users@gromacs.org>
Betreff: Re: [gmx-users] Re:Shell scripts
On Thu, Jul 5, 2012 at 6:03 PM, lloyd riggs <lloyd.ri...@gmx.ch> wrote:
Does any one know why, or have some other scripts...
My suggestion would be something in the lines of
#!/bin/bash
for i in $(seq 2121) ; do
g_energy -f traj_${i}.edr -o ${i}.xvg <<< "${i} 0"
done
===
Notice the "in" keyword right after 'i'.
I used a subshell to invoke the program 'seq', which generates a
sequence from 1 to the given argument, so we don't depent om how these
other constructs with ((; ; )) work among different versions of bash.
I also suggest replacing the here-document by a here-string, but
that's personal taste. You may or may not have problems with older
versions of bash
Greetings from a foggy Groningen,
--
Elton Carvalho
Tel.: +55 11 3091-6985/6922
Dept Física dos Materiais e Mecânica
Instituto de Física
Universidade de São Paulo
P.O. Box 66318 - 05314-970 São Paulo-SP, Brazil
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