I'm interested in understanding how changes in the oxygen-oxygen-oxygen (O-O-O) triplet angular distribution can provide insights into the order parameter.
In literature, the tetrahedral order parameter q, an index to describe the similarity of the simulated water structure with the perfect tetrahedral structure would yield a value of 1 for the perfect tetrahedral structure and 0 for the ideal gas
My question is how the changes observed in these distributions can provide information about the order parameter of water. I tried to calculate the probability plot of angles for two different frames of the trajectory (first and last frame). Attached below sequentially.
Now, I would like to seek guidance on how to further analyze these changes in the O-O-O triplet angular distribution and extract meaningful insights about the order parameter and how to calculate the q-value.
Thank you in advance for your valuable input and suggestions.