Mean square displacement calculation of active site water molecules

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Dec 20, 2023, 5:43:19 AM12/20/23

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Dear Experts,

I am trying to calculate MSD using the following tutorial.

Is it mandatory to unwrap the trajectory file? Again is it mandatory to align the trajectory?

Thanking You

Dulal Mondal

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Dec 20, 2023, 11:08:28 AM12/20/23

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please any help.

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