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

[Kiwoong Kim]

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
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