[gmx-users] how to write in a script?

Albert mailmd2011 at gmail.com
Thu Aug 7 13:00:32 CEST 2014


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


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