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.
>
>
> ********************************************
> * Ph.D. Graduate *
> * Chemistry Department *
> * University of Michigan *
> * *
> * http://www.umich.edu/~rnapeopl/ *
> ********************************************
>
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jan 29 2010 - 10:30:03 PST
