Hi Priyasha,
I've attached a dU lib file to this email.
The charges are taken directly from Jianbo Zhao's paper, Table S11 in the
Supplementary Information:
https://pubs.acs.org/doi/abs/10.1021/acs.jctc.9b00912, so please cite this
as the source of the parameters.
It should be used with the OL15 DNA force field, and loaded in leap with
the following commands:
source leaprc.DNA.OL15
loadoff ~/bin/lib/dU/dU.OL15.lib
-Christina
On Wed, Aug 9, 2023 at 3:20 AM Priyasha Majee via AMBER <amber.ambermd.org>
wrote:
>
>
> Dear All,
>
> We are working on a system that requires the force field of deoxyuridine
> (dU). Is this included in AMBER? We checked the AMBER parameter database
> but did not find anything. Could anyone please let us know if the frcmod
> or mol2 files of the dU are available, or would you recommend generating
> it?
>
> Thank you in advance.
>
> Regards,
>
> Priyasha
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>
--
-----------------------------------------------------------------
Christina Bergonzo
Research Chemist
Biomolecular Measurement Division, MML, NIST
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Received on Wed Aug 09 2023 - 06:00:02 PDT
