Hello:
I am trying to make a workflow of system building steps of gromacs.
However, many steps require interactive input such as:
genion, make_ndx
the genion can be done with echo:
echo 15| ${genion} -s Complex_b4ion.tpr
However, when I try to run:
echo 1|14 make_ndx -f input.pdb
However, it doesn't work for the above command.
Does anybody have any idea how can we write make_ndx in a script?
thx a lot
Albert
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