[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
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