Is that ensemble of structures are related to each eigen vector or total eigen vectors.
If i want to see the motion of seventh eigen vector how can i get? On Mon, Nov 25, 2013 at 9:50 PM, Tsjerk Wassenaar <tsje...@gmail.com> wrote: > From g_nmeig -h: > > An ensemble of structures can be generated from the eigenvectors with > g_nmens. > > Cheers, > > Tsjerk > > > On Mon, Nov 25, 2013 at 5:05 PM, Sathish Kumar <sathishk...@gmail.com > >wrote: > > > Dear users, > > > > I am trying to do NMA > > > > First i did energy minimization using .mdp file with conjugate gradient > > method, > > > > Next i calculated hessian matrix by using integrator = nm > > > > Then i calculated the eigen vectors from 7 to 100 using g_nmeig > > > > to analyze eigen vectors i use the commands > > > > g_anaeig_d -s nm.tpr -f em-c.gro -v eigenvec.trr -eig eigenval.xvg -proj > > proj-ev1.xvg -extr > > > > ev1.pdb -rmsf rmsf-ev1.xvg -first 7 -last 7 -nframes 30 > > > > > > by visuvalizing ev1.pdb, i did not found any motion in the protein. > > > > > > what is the mistake i have done? > > > > Is it correct procedure for doing NM analysis? > > > > How to analyze the eigen values obtained from hessian matrix? > > > > > > regards > > M.SathishKumar > > -- > > 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. > > > > > > -- > 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. > -- regards M.SathishKumar -- 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.