Víctor wrote:
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.
The -fitall option is set to 'yes' by default, so invoking it explicitly makes
no difference.
Furthermore, the rmsd.xpm file represents a non-symetric matrix, which
is not what I expected... Anyone has a clue of what's happening?
I can't explain this. Perhaps someone else can offer insight.
-Justin
Thanks in advance,
Víctor
--
Víctor Gil Sepúlveda
E. Informatica - FIB - UPC
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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