Hi Tsjerk, Thank you very much for your help. Cheers! Rama
On Fri, Oct 15, 2010 at 11:00 PM, Tsjerk Wassenaar <tsje...@gmail.com>wrote: > Hi Rama, > > You can convert the .trr file to readable .gro/.g96 with trjconv. > Frames with positive times will correspond to eigenvectors; the time > indicates the eigenvector index. Make sure not to use any options like > pbc/fitting :p > > Cheers, > > Tsjerk > > On Sat, Oct 16, 2010 at 7:00 AM, Ramachandran G <gtr...@gmail.com> wrote: > > Hi, > > Can anyone help to get the eigen vector in ascii format. I have with me > the > > trajectory file 'eigenvec.trr'. > > > > On using g_covar_d, i got the the ascii format file 'covar.dat' and it > has > > covariance matrix of 3(NxN) number. But i am not interested in that. > > > > I am interested in getting the ascii(readable) format of eigenvector and > > hessian.mtx . > > Your help is highly appreciated. Thank you. > > > > with regards, > > Rama > > > > On Fri, Oct 15, 2010 at 2:29 PM, Ramachandran G <gtr...@gmail.com> > wrote: > >> > >> Hi gmx users: > >> I did normal mode analysis and got the hessian.mtx . Using the > command > >> g_nmeig_d on the hessian.mtx > >> i got the eigenfreq.xvg, eigenval.xvg, eigenvec.trr. > >> > >> I need the complete eigenvector in the readable format. How i can get > it? > >> Thank you. > >> > >> with regards, > >> Rama > >> > >> -- > >> Postdoctoral Research Scholar, > >> Department of Chemistry, > >> University of Nevada, Reno. > > > > > > > > > > > > -- > > 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 > > > > > > -- > Tsjerk A. Wassenaar, Ph.D. > > post-doctoral researcher > Molecular Dynamics Group > * Groningen Institute for Biomolecular Research and Biotechnology > * Zernike Institute for Advanced Materials > University of Groningen > The Netherlands > -- > 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 > -- Postdoctoral Research Scholar, Department of Chemistry, University of Nevada, Reno.
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