[gmx-users] Can I make make_ndx interactive?

Jennifer Williams Jennifer.Williams at ed.ac.uk
Tue Aug 3 17:10:13 CEST 2010


Is there some way of making the make_ndx file interactive so that I  
can include it in a script?

I would usually type in  "a C_O and O_C" to select my atoms

I've tried altering the example on the webpage for making commands  

make_ndx -flags <<EOF
a C_O OC
EOF -f nn_1.pdb

but -flags doesn't seem to be recognized. Does anyone know a work around?



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