[gmx-users] problem with extr of g_anaeig

agnes agnesnoy at gmail.com
Wed Nov 23 19:08:33 CET 2011


Hi!!

I am looking my eigenvectors through the extr command of g_anaeig and I 
found different pdb files for my 1st vector in the following 3 conditions:

gromacs-4.5.5/bin/g_anaeig -f file.xtc -s average.pdb -v eigenvec.trr -n 
index.ndx -extr -nframes 20 -first 1 -last 1

gromacs-4.5.5/bin/g_anaeig -f file.xtc -s average.pdb -v eigenvec.trr -n 
index.ndx -extr -nframes 20 -first 1 -last 2

gromacs-4.5.5/bin/g_anaeig -f file.xtc -s average.pdb -v eigenvec.trr -n 
index.ndx -extr -nframes 20 -first 1 -last 50

Is it normal? They should be the same, don't they?
I read an old post related with that but I though it would be solved...

Many thanks!!!!

Agnes



More information about the gromacs.org_gmx-users mailing list