Dear Gromacs users! I'm looking for most trivial option to extract structural data from the free energy diagrams of PCA projections obtained by g_sham. E.g on the plots I've found transitions towards the relevant conformations along chosen PCs passed through several intermediates. How it's possible to extract pdb of the protein corresponded to those short-lived intermediates just form the projection data avoiding of the GUI visualization of the trajectory?
Thanks for help! James -- 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.
