AMBER Archive (2006)
Subject: AMBER: Where is the repulsion energy ( part of nonpolar solvation energy) in MM_PBSA ?
From: Changge Ji (jcg_at_itcc.nju.edu.cn)
In amber 8, Gnp = SURFTEN * SASA + SURFOFF.
In amber9 , a new nonpolar solvation model with an explicit treatment of dispersion interaction was included .
In Gaussian03, Gnp = G(Cavitation) + G (Dispersion) + G (Repulsion)
In amber9, the dispersion interaction and cavatitation energy were treated explicitly .
Many thanks !