If the modified nucleotide isnt that complicated, why dont u do a resp
calculation to get the RESP charges? That will be better than bcc charges.
On Tue, 13 Feb 2007, mathew k varghese wrote:
> Dear AMBER users,
>
>
> I am planning to do some MD simulations of modified nucleic acids. Is it reasonable to use the am1-bcc charges for the modified nucleotides?
>
> Thanks in advance
>
>
> Mathew K Varghese
>
>
>
> /\/\athew
>
> Mathew K Varghese
> Research Scholar
> School of Pure and Applied Physics
> M.G.University
> Kottayam, Kerala
> India
>
> email mathew_kvarghese.yahoo.co.in
>
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Received on Wed Feb 14 2007 - 06:07:33 PST
