Re: [AMBER] How to Run MD of Glycol Nucleic Acid (GNA)

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Thu, 06 Dec 2012 18:37:16 +0100

Dear Mu Xia,

We built a force field topology database for GNA; it was validated by MD...
It will be available in R.E.DD.B. when we will have time.

I can send you the entire FF next week if you are interested...

regards, F.


> Our recent research is the MD of a non-standard nucleic acid, named
> Glycol Nucleic Acid (GNA). The glycol unit has just three carbon
> atoms which differs from DNA or RNA. Moreover, the base pairs were
> replaced by aromatic substitutes in our system to examine the
> interactions.
>
> Here come the problems. Since the backbone and "base pair" are both
> non-standard:
>
> 1. How could I build a double strand helix of GNA in xleap or some
> other programs?
>
> 2. How could I define the force field of the non-standard residues?
> Just like using Antechamber to build the force field of the ligand?



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Received on Thu Dec 06 2012 - 10:00:02 PST
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