[AMBER] Replica exchange thermodynamic integration in AMBER

From: Roma Mukhopadhyay <roma1988.nmsu.edu>
Date: Thu, 11 Jan 2018 23:45:55 +0000

Hi All,


I was wondering if there is a way to do Replica exchange along with thermodynamic integration(RETI) method in AMBER, and if anyone could guide me to a helpful resource from which I can learn how to use the combined method in AMBER platform for free energy calculations.


Thanks

Roma

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Received on Thu Jan 11 2018 - 16:00:02 PST