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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