[AMBER] MBAR from TI on pmemd

From: Hosein Geraili Daronkola <geraili.hsn.gmail.com>
Date: Mon, 18 Feb 2019 13:57:17 +0100

Hi,
I am running TI with Amber18 on GPU.
I wanted to know how can I use the MBAR data in my output to calculate the
entropy and enthalpy like a normal MBAR??? I mean, is there any script in
AmberTools to do that, or outside AmberTools??
Best




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Received on Mon Feb 18 2019 - 05:00:03 PST