Re: [AMBER] Reg: PLP - LYS parameters

From: Gerald Monard <gerald.monard.gmail.com>
Date: Tue, 11 Jan 2022 09:42:43 +0900

Hello,

A little old now, but you can check the supplementary information of
https://onlinelibrary.wiley.com/doi/10.1002/prot.24991 where you will find
leap instructions to create a non-standard residue of PLP linked to LYS.
Hope it helps,
Best regards,
Gerald.

On Tue, Jan 11, 2022 at 4:47 AM Lara rajam <lara.4884.gmail.com> wrote:

> Dear AMBER,
> I am interested in generating a simulation for PLP linked LYS for my
> protein.
> I have gone through the forum got the same question asked in 2018
> ( http://archive.ambermd.org/201803/0040.html). But I am not able to find
> the solution for it. Can anyone let me know what needs to be done?.
>
> Can I follow the non standard residue tutorial if so , how do I need to
> take the combined residue atoms for Gaff ?
>
> Any information will be appreciated.
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>
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Received on Mon Jan 10 2022 - 17:00:03 PST
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