Cheers from the Canadian prairies :)
Hello Francois,
some time ago you sent to me mol files for ATP and GTP (dXYP{1,2},
XYP{1,2} ), I was wondering if you also have equivalent library files
with charges for ATP and GTP, AND two hydrogens added at the gamma
phosphates (will use with ff03) . . . I would appreciate this a lot.
Regards
Eduardo Mendez
^_^
Oh!, here is my email as gmail does work sometimes...
eduardomenv.hotmail.com
eduardo.mendez.usask.ca
FyD wrote:
> Dear Steve,
>
>> I am looking for GTP parameters and looked in the achieves. I found
>> that ATP and GTP had been deposited on the AMBER homepage site.
>> However, looking through all the links, I cannot find them. Have
>> they been incorporated into the newer force field/parameters? (I
>> have AMBER 8 addition.)
>
> If you are interested I can send you ATP, GTP force field libraries or
> any co-factors you might be interested in deriving from XYP (X = A, C,
> T, G, dA, dC, dT, dG. Y = M D T Q etc... An even more...).
>
> This force field topology database has been developed in a single
> R.E.D. job. Many co-factor analogs can be constructed since a building
> block approach has been followed. See the list of cafactors built:
> http://archive.ambermd.org/200812/0329.html
>
> regards, Francois
>
>
>
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Received on Tue Dec 08 2009 - 21:00:03 PST
