Hi I have performed principal component analysis by using g_covar module of Gromacs 5.0 (Peptide's backbone atoms were selected both for least square fit and covariance analysis) then 2 extreme conformations along different eigenvectors derived by "g_anaeig -extr " The resulting structure look likes this : https://app.box.com/s/e6b87ar9j75q227qe6sx1udeyqdszgdl Is there any way to correct those artifices that can be observed in the peptide backbone? thanks in advance for any help or guidance
Best Regards, Nima Soltani ---------------------------------------------------------- Graduate Student of Physical Chemistry Department of Chemistry, Sharif University of Technology. ================================= -- 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.
