Re: [AMBER] Force Fields Parameters Files

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Fri, 29 Jan 2010 13:00:32 -0500

have you checked the amber parameters database? looks like it has at
least some of what you want.

http://www.pharmacy.manchester.ac.uk/bryce/amber


On Fri, Jan 29, 2010 at 12:49 PM, Jana Sefcikova <jsefciko.umich.edu> wrote:
> Dear Amber community:
>
> I wish to perform MD simulations on a triple molecular system using Amber
> version 10:
> Protein-double stranded DNA-a deoxynucleotide triphosphate.
> Double stranded DNA contains lesions.
>
> I would greatly appreciate if:
> - you could share the force fields parameters files for:
> 1. Deoxynucleotide triphosphate, preferable, dATP
> 2. cyclobutane thymine dimer
> 3. N2-furfuryl-dGTP
>
> OR
>
> - you could provide advice where I can obtain the files in such suitable
> format which would allow me to load these files directly in tleap.
>
> Thank you very much for your help in advance,
> Jana.
>
>
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Received on Fri Jan 29 2010 - 10:30:03 PST
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