Hi James, Correlation is covariance normalized to variance. So you'll need the covariance matrix anyway. But what exactly due you mean with the loss of information, which you could solve with correlations?
Cheers, Tsjerk On Aug 27, 2012 4:01 PM, "James Starlight" <jmsstarli...@gmail.com> wrote: Mark, Is there any way to calculate such cross-correlations without calculation of the covariance matrix ( from the MD trajectory indirectly) ? I've noticed that after processind of my trajectory with PCA method some dynamics ( e.g fluctuations of the side-chains) are lost even when I've analysed filtered.xtc from the first 50 principal components. How I should analyse possible cross-correlations of the fluctuations of the side-chains? James 2012/8/27 Mark Abraham <mark.abra...@anu.edu.au>: > On 24/08/2012 4:51 PM, James Starlight wrote: >> >> up :) >> It's appeared two additional question... -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
