[AMBER] Free energy landscape on principal components

From: Adam Jo Elatico <ajelatico.up.edu.ph>
Date: Thu, 2 Aug 2018 23:34:04 +0800

Hi all :)

I have a system prepared using the ff14SB ffield and subjected to MD using
NAMD. How do I calculate and project the free energy landscape of the
protein on the principal components from the simulation trajectories? I've
read that MM-PBSA can calculate free energies, but they seem to be only for
binding free energies.

Thanks! 


-- 
*Adam Jo J. Elatico*
Science Researcher
University of the Philippines Diliman
Quezon City, Philippines 1101
Phone: +639364081744
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Received on Thu Aug 02 2018 - 09:00:02 PDT
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