VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Jul 14 2015 - 10:20:04 CDT

Hi,
  If Axel isn't able to answer your questions (he wrote signalproc),
your best bet would be to read the signalproc code and determine
if you can easily modify it to suit your needs yourself.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Jul 09, 2015 at 05:34:08PM +0200, Ana Celia Vila Verde wrote:
> Hi everyone,
>
> I've used the signalproc package to calculate the power spectrum
> within the harmonic approximation. The calculated power spectrum is
> normalized so that the sum of all y-values equals unity (as
> indicated in the signalproc webpage; I also checked this myself). My
> question is: is there a way of disabling this normalization? I
> would like to do it because I'd like to know how much each component
> of the system contributes to the total spectrum. I've calculated
> the power spectra of individual components of my system but because
> of this normalization factor, I cannot assess their relative
> intensity.
>
> Thanks,
>
> Ana 

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/