Anything, anyone?
With regards,
Satyajit Khatua
---------- Forwarded message ---------
From: SATYAJIT KHATUA <satyajitkhatua09.gmail.com>
Date: Sat, Jul 23, 2022 at 1:45 PM
Subject: Entropy value in MM/GBSA calculation
To: AMBER Mailing List <amber.ambermd.org>
Hi,
I have a simple question regarding the calculated quasi-harmonic entropy
term in binding free energy calculation using MM/GBSA. Is it the value of
*TdeltaS* or *-TdeltaS?*
With regards,
Satyajit Khatua,
Research Scholar,
Department of Chemistry,
IIT Kharagpur, Kharagpur-721302
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Received on Thu Aug 04 2022 - 13:36:47 PDT
