AMBER Archive (2006)

Subject: AMBER: MM_PBSA

From: lily ferreira (lily_1_mart_at_yahoo.fr)
Date: Wed Dec 20 2006 - 07:46:00 CST

Dear Members, I used MM_PBSA in order to calculate the absolute free energy of a complex in explicit water. This part of the work was successfully. The manual of Amber 8 suggests that MM_PBSA is only used for the determination of the absolute free energy in solution! So my questiona is as follows: 1. Can MM_PBSA be also employed for the determination of the free energy for a system in implicit water? Thank you very much for your help. Lily ___________________________________________________________________________ Nouveau : téléphonez moins cher avec Yahoo! Messenger ! Découvez les tarifs exceptionnels pour appeler la France et l'international. Téléchargez sur http://fr.messenger.yahoo.com
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