Re: [AMBER] reg: the charges for methylated cytosine atoms

From: Sidney Elmer <paulymer.gmail.com>
Date: Wed, 12 Mar 2014 11:46:08 -0700

This information was very helpful. I would like to build double
stranded DNA with methylated cytosines directly in NAB using bdna().
I looked through the NAB code and quickly got lost. I'm happy to do
this myself, but I would appreciate some guidance as to how to do
this. Could someone please outline the steps necessary to accomplish
this? Thank you!

Sid

On Thu, Feb 20, 2014 at 5:25 AM, Jason Swails <jason.swails.gmail.com> wrote:
> On Thu, 2014-02-20 at 13:34 +0100, Filip Lankas wrote:
>> Dear Satya,
>>
>> just look at the web site Jason suggests:
>>
>> http://www.pharmacy.manchester.ac.uk/bryce/amber/
>>
>>
>> If you click on "Nucleic acids" there, then the first parameter set you
>> see is for deoxy-5-methylcytosine (dmc), this may be what you want.
>
> Oh man! I kept seeing "cysteine" in my head. Thank you for the
> correction. As Filip points out the parameters (that he contributed)
> are already there with the relevant citation, library, and frcmod files.
>
> All the best,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
>
>
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Received on Wed Mar 12 2014 - 12:00:03 PDT
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