Create a file named input.g_rms. write the group number in this file. In your shell script after command line write <input.g_rms. when the command is executed in shell the file input.g_rms having group number will be read. Hope it works. Shahid nayeem
On Fri, Feb 10, 2012 at 4:19 PM, Kiwoong Kim <ilmare...@gmail.com> wrote: > Hi, > > I'm not good at shell programming now. > For the simplicity, I wrote down all the gromacs commands in one shell > script. > > It means that if I execute the .sh file, then every works including graphs > used for analysis are done. > However, when there are g_msd -f *.xtc -s *.tpr -o *.xvg -rmcomm, I have > to select the groups manually. > This is quite inconvenient... > > Is there any way to handle this?? > > Thanks in advance > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > 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 >
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