[gmx-users] Dihedral angel

Justin Lemkul jalemkul at vt.edu
Tue Feb 19 16:59:03 CET 2013

On 2/19/13 10:52 AM, 라지브간디 wrote:
> I want to calculate the dihedral angel of side chain of Arginine. could you tell how it can be done? how do i create ndx for Arg and look at the dihedral angel in sinumation time point ?

g_angle will measure the dihedral.  Refer to g_angle -h for available options. 
The index file itself is trivial to create manually with a text editor.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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