[gmx-users] Using shell script to analyze the results

[shahid nayeem]

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 <ilmarejoe at 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 at 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-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120210/d7708249/attachment.html>