I would expect that this has been done before, unless there is a specific
reason you want to do it yourself
A quick search of the archive revealed many previous posts, like this one
that may be helpful
http://archive.ambermd.org/201611/0266.html
On Fri, May 15, 2020 at 2:10 PM SHAUNAK BADANI <
shaunak.badani.research.iiit.ac.in> wrote:
> Hi all,
>
> I want to generate force field parameters for ATP. My model system
> contains ATP bound to protein, solvated in water. I am following the
> Antechamber tutorial (which uses GAFF to generate Drug parameters)
> available on the Amber website to generate ATP parameters. I just want to
> make sure I am right in doing so.
>
> Thanks and regards,
> Shaunak Badani
> IIIT Hyderabad
>
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>
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Received on Fri May 15 2020 - 11:30:02 PDT
