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? 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 > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Only plain text messages are allowed! > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists