[gmx-users] -fitall option problems
victor.gil.sepulveda at gmail.com
Tue Jan 24 11:46:57 CET 2012
I've having some problems with use of the option '-fitall'.
The command I'm using is:
g_rms -hidden -fitall -s ../topol_amber.tpr -f ../amber99sb_skip10.xtc -f2
../amber99sb_skip10.xtc -m rmsd.xpm
But a diff with the rmsd.xpm file I got without using '-fitall' reveals
that the files are identical.
Furthermore, the rmsd.xpm file represents a non-symetric matrix, which is
not what I expected... Anyone has a clue of what's happening?
Thanks in advance,
Víctor Gil Sepúlveda
E. Informatica - FIB - UPC
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