Thanks to Azoia and nayeem
The solution from Azoia is perfectly working :)
Thx.
2012/2/10 Nuno Azoia
> There is a more direct way. In the script just use
> g_msd -f *.xtc -s *.tpr -o *.xvg -rmcomm < Number
> Number
> EOF
>
> where Number denotes the group number, or the group name, matchin
There is a more direct way. In the script just use
g_msd -f *.xtc -s *.tpr -o *.xvg -rmcomm < wrote:
> Create a file named input.g_rms. write the group number in this file. In
> your shell script after command line write executed in shell the file input.g_rms having group number will be read.
>
Create a file named input.g_rms. write the group number in this file. In
your shell script after command line write 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 fil
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
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