[AMBER] Entropy value in MM/GBSA calculation

From: SATYAJIT KHATUA via AMBER <amber.ambermd.org>
Date: Sat, 23 Jul 2022 13:45:50 +0530

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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Aug 04 2022 - 13:35:57 PDT