[gmx-users] Re:Shell scripts

Elton Carvalho eltonfc at if.usp.br
Thu Jul 5 22:25:06 CEST 2012

On Thu, Jul 5, 2012 at 6:03 PM, lloyd riggs <lloyd.riggs at gmx.ch> wrote:
> Does any one know why, or have some other scripts...

My suggestion would be something in the lines of


for i in $(seq 2121) ; do
g_energy -f traj_${i}.edr -o ${i}.xvg <<< "${i} 0"


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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