Hello all
I would like to calculate both distance and angle water orientational
order. I have made an index file containing all oxygen atoms of water and
used trjorder as:
g_hydorder -f *.xtc -s *.tpr -n *.ndx -o file1_1 file2_1 -or file1_2 file2_2
How to interpret the results of the output files? Both output files file1_2
and file2_2 contain the same content. Won't one should contain distance and
other angle orientational order parameter values?
Also I expect parameter values to be less than or equal to 1. But the
values in the file looks something like the following (all greater than 1):
#Legend #TBlock #Xbin Ybin Z t 0 0 0 6.5 0 1 6.5 0 2 4.5 0 3 3.5
0 4 6.5 0 5 4.5 0 6 5.5 1 0 6.5 1 1 4.5 1 2 5.5 1 3 3.5 1 4 5.5 1 5
4.5 1 6 5.5 2 0 4.5 .
.
Please help me in interpreting this file.
Thanks
Nidhi
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