[AMBER] R.E.D.III.x tutorial1 question

From: Computational Chemist <computationalchemist.ymail.com>
Date: Tue, 2 Nov 2010 13:12:42 -0700 (PDT)

Iam beginnig to develop parameters for a set of molecules and I will use R.E.D. to derive the charges. Why in the tutorial dimethylalaninedipeptide is divided into 3prtions. Can't we just derive charges for the whole molecule. I will derive the charges for carboxylic acid as well and Iam confused whether I should keep it as awhole molecule or divide it.

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Received on Tue Nov 02 2010 - 13:30:02 PDT
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