VMD-L Mailing List

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Tue Feb 06 2018 - 13:10:44 CST

>From the doc page:
http://www.ks.uiuc.edu/Research/vmd/plugins/signalproc/

*This plugin is the heart of the IRSpecGUI
<http://www.ks.uiuc.edu/Research/vmd/plugins/irspecgui/> tool. It allows to
compute spectral densities from trajectories using time series data. By
computing the Fourier transformed auto-correlated data directly.*

On Tue, Feb 6, 2018 at 1:13 PM, <sperez14_at_us.es> wrote:

> Dear vmd comunity,
>
> I imagine specden internally computes the autocorrelation function in
> order to compute the spectrum. Is it possible to obtain the autocorrelation
> function out of it and not the power spectrum?
>
> Thank you very much for your help,
>
> Sergio Pérez-Conesa
> 

-- 
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD
http://goo.gl/Q3TBQU
https://github.com/giacomofiorin