AMBER Archive (2009)

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

From: Marek Malý (maly_at_sci.ujep.cz)
Date: Mon Apr 13 2009 - 22:29:17 CDT

Dear Amber users,

I would like to simulate (using Amber10 package) dendrimers decorated by
maltose (attached to the surface dendrimer groups)
and their complexes with oligonucleotides.

In my opinion the ideal situation from the ff point of view could be to
use for this complex system 3 forcefields
in one time:

ff99 or ff99SB - for oligonucleotides
GAFF - for dendrimer residui
GLYCAM_06 - for maltose

Is it possible to load and use above mentioned forcefields in one time or
I can use in one time only
combination : (ff99 or ff99SB) + GAFF which means that not only dendrimer
residua but also maltose
molecule should be parametrised using GAFF forcefield in my case ?

Thank you very much in advance for answer.

     Marek 

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