i-Pi input editing

i-Pi

#!/bin/bash

# To edit file in place use the '-L' option wih the ed command

# Name of the file to edit
namefile='input_hexamer_book.xml'

# Assign the name of the ffsocket to a variable
ffname=`xmlstarlet sel -t -v "/simulation/ffsocket/@name" $namefile`

# Add the forcefield attribute to the force tag and put $ffname as the value of the just added attribute.
#+Moreover remove all values from the force tag.
xmlstarlet ed -i "/simulation/system/forces/force" --type attr -n 'forcefield' -v $ffname -u "/simulation/system/forces/force" -v '' $namefile