Rebeca García Fandiño wrote:
Hello,
I am trying to calculate the tilt angle of the principal axis of a
nanotube inserted into a membrane using g_bundle. In the index file I
have selected a group of atoms at the top and a group of atoms at the
bottom of the nanotube, and I using the option -na 1 and -z to calculate
the tilt respect to the z axis of the membrane.
I suppose that the results I have obtained in bun_tilt.xvg are the tilt
angles respect to the average axis (along the simulation), is that
right? Is there any way to calculate the tilt angle respect to a
reference axis (for example, the axis formed by the 2 groups in the
index file in the first structure, which is just perpendicular to the
membrane?
Sounds like something g_sgangle can do.
-Justin
Thanks a lot in advance for your help.
Best wishes,
Rebeca Garcia
Santiago de Compostela University
Spain
rega...@hotmail.com
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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