Date: Sat, 11 Apr 2009 01:45:46 +0100
Hello,
I have a DNA strand on a surface that i would like to analyze using
ptraj. I have not used ptraj before so my question is introductory: I
attached a picture of my system, residues 3-21 are DNA residues and
Residue 1 is the whole surface. I would like to measure the polar
angle between a DNA vector and the surface plane.
i tried
test{
trajin *.mdcrd
trajout *.mdcrd
vector DNA ':3-21.%C' out dna.vector
corrplane Surface ':1.%Si' sur.vector
angle result DNA Surface out result.out
}
> ptraj *.prmtop test
but i got
PTRAJ: vector DNA ':3-21.%C' out dna.vector
Mask [:3-21.%C] represents 23 atoms
Segmentation fault
does this mean vector needs exactly 3 atoms?
Thank you,
Taufik
(image/jpeg attachment: 240ps.jpeg)
- text/plain attachment: ATT00002.txt
