[gmx-users] Analysis of the torsion Chi angles dynamics during simulation

[Justin A. Lemkul]

On 6/19/12 9:24 AM, James Starlight wrote:
> Dear Gromacs Users!
>
>
> I want to perform analysis of the chosen Chi1 angles during md simulation. How I
> could obtain such graphs with the dependence of the dynamics ( distribution in
> degrees)  of that torsions on the simulation time ?
>

g_angle can analyze dihedrals and produce either time-dependent angle 
information or histograms showing the distributions.

-Justin

-- 
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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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