[AMBER] Time averaged mean squared displacement

From: Christopher Faulkner <FaulknerC3.cardiff.ac.uk>
Date: Mon, 25 Jun 2018 15:50:34 +0000

Dear Amber users,


I have calculated the MSD vs time plot for my lipid system and found the slope so I can calculate the diffusion but in other papers the MSD vs time plot is linear due to time averaging using 200 ps windows. Could someone please explain how to carry out the time averaging over 200 ps windows? I have attached an image of my plot for reference.


Regards,


Christopher Faulkner

PhD student

Cardiff University


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MSD.png
(image/png attachment: MSD.png)

Received on Mon Jun 25 2018 - 09:00:03 PDT
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