to do repeated operation

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shilpa s
shilpa s il 12 Apr 2016
my project deals with spectrum of water.so we are explaining why peaks ocured in the IR spectrum of water.so i have the simulation data of water molecule.it contains x,y and z coordinates of oxygen and corresponding two hydrogen.so we consider 51 water molecule.so data is like first 51 is the coordinates of oxygen molecule and 52th and 53rd hydrogen belongs to the first oxygen and 54th and 55th hydrogen belongs to 2nd oxygen.i have the equation to find bond lengths and bond angle.but the problem is we have to find bond angle and bond length from almost 1000 frames.in each frames we take the averages.plz help me .i am screwed

Risposte (1)

Muhammad Usman Saleem
Muhammad Usman Saleem il 12 Apr 2016
use for loop for repeatation of a particular task

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