Dear Users, My Problem is in regard to Principal Component Analysis. It might be trivial, but I am not been able to hit at the right place. So please help.
I did PCA on a 100ns trajectory and also obtained the eigenvalues.xvg and eigenvec.trr, Now that I want to get the first four eigenvector projections, but could do so only one by one using the command line g_anaeig_d -f MD-full.xtc -v eigenvec.trr -s reference.tpr -eig eigenval.xvg -n MD.ndx -proj proj.xvg -first 1 -last 1 g_anaeig_d -f MD-full.xtc -v eigenvec.trr -s reference.tpr -eig eigenval.xvg -n MD.ndx -proj proj.xvg -first 2 -last 2 So, I want to know whether there is a command line to obtain the first four or even more eigenvectors in a single output file. Thank you in advance, AshaLatha Sreshty Molecular Biophysics Unit, Indian Institute of Science. Bangalore -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
