Hi,
I am currently working on an analysis of MD simulations and have encountered a question regarding the most appropriate methodology for calculating the average RMSF for our study.
I have seen that in some publications average RMSF is calculated as the mathematical mean of each replica, and I some others, they create an average structure, and then they compute the RMSF for the whole.
What would be the appropriate one :
1) Creating an average structure and then computing RMSF using that average structure ?
2)Averaging the RMSF of each replica?
Are there any advantages/disadvantages?
Thanks in advance!
Hocine
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Received on Tue Sep 12 2023 - 12:00:02 PDT
