AMBER Archive (2008)

Subject: Re: AMBER: Model of deoxyadenosine in Cornell 95 paper

From: Piotr Cieplak (cieplak_at_cgl.ucsf.edu)
Date: Wed Jul 16 2008 - 01:32:08 CDT

I believe this is what has been used for this testing (file in
attachment).
Piotr

On Sun, 13 Jul 2008, Ilyas Yildirim wrote:

> From: Ilyas Yildirim <yildirim_at_pas.rochester.edu>
> Sender: owner-amber_at_scripps.edu
> To: amber_at_scripps.edu
> Date: Sun, 13 Jul 2008 19:14:48 -0400 (EDT)
> Subject: AMBER: Model of deoxyadenosine in Cornell 95 paper
> Reply-To: amber_at_scripps.edu
>
> Dear All,
>
> I am trying to reproduce some of the results of Cornell 95 paper. I
> am looking for the .lib or .prepi file for the model of
> deoxyadenosine they used in their paper (Figure 1 of
> http://pubs.acs.org/cgi-bin/archive.cgi/jacsat/1995/117/i19/pdf/ja00124a002.pdf)
> . I will appreciate if anyone can direct me or provide me with the
> parameters they used in their calculations for the model of
> deoxyadenosine. Thanks a lot.
>
> Best,
>
> --
> Ilyas Yildirim
> ---------------------------------------------------------------
> = Department of Physics - =
> = University of Rochester - =
> = 585-275-6766 (office) - 585-267-5644 (home) =
> = http://www.pas.rochester.edu/~yildirim/ =
> ---------------------------------------------------------------
>
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