[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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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