Dear Sir
wish you are fine !
I want to calculate average correlations between the motion of atoms and a
motion vector calculated for each selected atom from its previous position
to its current position.
like calculating it for oxygen and calculating it for both oxygen and
nitrogen .
atomiccorr :MET.O byatom out atomiccorr_O.out
atomiccorr :MET.O :ALA.N byatom out atomiccorr_O_N.out
I was expecting to get 2 columns one for time step or number of frames and
one for the averaged correlation function for all o or o and N per frame. I
wanted to graph this relation of the averaged correlation function per time
or frames of simulation
However I got an out put file I can not understand and when I plot it I
thought that something is wrong with the data .
Would you please clarify it to me?!
Regards
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Received on Mon Oct 26 2015 - 05:00:05 PDT
