AMBER Archive (2009)

Subject: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? - Last detail

From: Marek Malý (maly_at_sci.ujep.cz)
Date: Mon Apr 20 2009 - 06:52:36 CDT

Dear all, I have very last question to this topic.

As I reported sooner I would like to simulate dendrimers
"decorated" with maltose.

Unfortunately binding of maltose to terminal dendrimer amines
requires opening of one glucose ring and creating bond between
C1' and dendrimer terminal amine ( please see the attached picture ).

In this case I assume that GLYCAM_06 forcefield could be
used only for parametrisation of the second ( unbroken ) glucose
ring and the broken one should be parametrised using GAFF ff.

Am I right ?

Thanks in advance for answering of this my very last
question.

    Marek 

-- 
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