[AMBER] question

From: . mirage <m.o.m.live.fr>
Date: Mon, 27 Jan 2014 13:04:23 +0000

Hi amber user'sin order to study a comlexes type hote:invited 1:1 and 2:1 by calculating mmpbsa energy I chose one type on hote molecule (H) and two types of guest (A or B). we have then H>A, H>B, H>AA and H>BB For each type of complex, the guest B has the most stable orientations (minimum deltaG), but it has also some stable orientations A than B. My question is, what we say that B is more stable than A (on comparing only the orientation which have the minimum delta G ignoring some more stable orientation A than B.Thank's in advance for all reponse.
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Received on Mon Jan 27 2014 - 05:30:02 PST
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