Hey :)
> I think I will just do PCA (g_covar), reweight the covariance matrix and > obtain modes > > Reweight the covariance matrix? Out of curiosity, how will you do that? Cheers, Tsjerk > -- Tsjerk A. Wassenaar, Ph.D. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.