Hi Guys,
I am seeking help to understand how cross correlation analysis is performed
in ptraj. In the manual (version Amber10), On Page 99, the paragraph for
vectors "corr" and "corrired" confuses me.
The manual says:
"corr mask2: This defines a vector between the center of mass of mask and
the one of mask2, for which a time correlation function can be calculated
..."
similar description for corrired.
Does this mean a vector is formed between the center of mass of mask and the
center of mass of mask2? Or a vector is formed between the center of mass of
mask and an atom in mask2? My second question is how the cross correlation
is calculated for a vector, which has six sets of signals (x1, y1, z1 and
x2, y2, z2) in a time series? Typically, cross correlation analysis is
performed with two sets of signals (for example, the matlab functions xcorr
and xcorr2).
Another thing bother me is that the data of "corr" cannot be dumped to a
file. I always got core dump. However, for other types of vectors, including
principal, dipole, box, corrplane, the output file can be successfully
generated.
Thank you for the help
Junmei
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Received on Thu Oct 15 2009 - 10:00:03 PDT
