On 5/14/13 10:25 AM, [email protected] wrote:
Dear all,
in referring to the described probelm with g_sgagle results, I would like to
add the following:
I made an index file like this:
0 System : 762 atoms
1 DNA : 762 atoms
2 a_412_444 : 2 atoms
3 a_444_474 : 2 atoms
with:g_sgangle -f box.gro -n index.ndx -s topol.tprI calculated the angle
between the gruop 2 and 3. I obtained the value:
@ title "Angle between a_412_444 and a_444_474"
@ xaxis label "Time (ps)"
@ yaxis label "Angle (degrees)"
@TYPE xy
0 0.883076 27.9844
But the same angle calculate simply putting the label with VMD program is
152.016.
I think there is something that is not so clear...
180 - 152.016 = 27.984.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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