[AMBER] Fwd: Entropy value in MM/GBSA calculation

From: SATYAJIT KHATUA via AMBER <amber.ambermd.org>
Date: Sun, 24 Jul 2022 11:58:01 +0530

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>


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
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