Hello Users
I plan to use make_ndx in a script for passing it on to grompp by combining
two groups of molecules in my system.
When running interactively I use make_ndx -f xyz.gro -o index.ndx
Choose groups :
group1 | group 4
hit enter
type q
hit enter
I was thinking of putting these set of
Hello,
Shell script can do this. Multiple lines can be redirected by a here
document. You can make a script including the lines below, or just type
these lines in shell terminal
make_ndx -f xyz.gro -o index.ndx << EOF
group1 | group4
q
EOF
A simpler way to do th