On Tue, Aug 07, 2018, Antonio Amber Carlesso wrote:
>
> We would like to create a “.frcmod file” to use a new RNA force field
> parameters that was presented in a recent PNAS paper..
Are you refering to the paper by Tan, Piana, Dirks and Shaw? I'm hoping
that someone on the list has made the changes and can share their files.
Note that you need more than a frcmod file: the modifications involve
charge changes, so new libraries are needed as well. [Also note: in
addition to the parameters in the Tables and Supplementary Tables in the
paper, modifications proposed in Ref. 26 were also incorporated. So
care has to be taken in preparing these files....]
....dac
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Received on Tue Aug 07 2018 - 13:30:03 PDT
