AMBER Archive (2008)

Subject: Re: AMBER: FAD and NAD parameters

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Hi,

Should the charge and of a protein and its cofactors to be considered as zero

I am getting a charge of +0.295 for a complex of protein with FAD and NAD

any help will be appreciated.
Thomas

On Wed, March 26, 2008 18:57, FyD wrote:
> Quoting Thomas Leonard <thomasj_at_bii.a-star.edu.sg>:
>
>
>> I would like to use FAD and NAD parameters for some of my simulations.
>> I have read few replies for the NAD parameters.
>>
>
> I think you can find such parameters in the AMBER parameter database @
> http://www.pharmacy.manchester.ac.uk/bryce/amber#cof
>
>
> Soon you will also find a big force field topology database for many
> coenzymes and phophorylated analogs in R.E.DD.B. @
> http://q4md-forcefieldtools.org/REDDB/
>
>
> regards, Francois
>
>
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