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

Justin A. Lemkul jalemkul at vt.edu
Tue Jun 19 15:25:53 CEST 2012

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


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