[gmx-users] protein in popc

Chris Neale chris.neale at utoronto.ca
Tue May 15 00:36:12 CEST 2007

It's probably easiest to do by hand, but here's a script anyway:

a=wc -l protein.gro
b=$(expr $a + 1)
head -n "$b" protein.gro > first.gro
c=wc -l bilayer.gro
d=$(expr $c - 2)
tail -n "$d" bilayer.gro > last.gro
cat first.gro last.gro > total.gro
n=wc -l  total.gro
o=$(expr $n - 3)
p=$(expr $n - 2)
head -n 1 total.gro > one.gro
echo "$o" > two.gro
tail -n "$p" total.gro > three.gro
cat one.gro two.gro three.gro > final.gro
editconf -f final.gro -o final_renumber.gro
rm -f first.gro last.gro one.gro two.gro three.gro final.gro
## final_renumber.gro is your new file

---original message---

I have made a hole in POPC128a bilayer(make_hole).how
can i insert protein into the hole?

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