[AMBER] Calculating displacement from PMF

From: Pinky Mazumder <pmazumder67.gmail.com>
Date: Wed, 31 Mar 2021 08:58:49 -0500

Dear AMBER users,

I am performing simulations using umbrella sampling smd.

How can I get the value of displacement from PMF?

Another query, what is the difference between smd and umbrella sampling?

Thank you.

Sincerely,
Pinky

-- 
Pinky Mazumder
PhD Student
University of Alabama
USA
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Received on Wed Mar 31 2021 - 07:00:02 PDT