CYS, LYS, and TYR are, themselves, the titratable residue names for
cysteine, lysine, and tyrosine. cpinutil should recognize those residues
and support creating input files titrating those residues.
HTH,
Jason
On Fri, Oct 29, 2021 at 10:19 AM Divya Rai <drai550.gmail.com> wrote:
> Hello everyone,
>
> I have been trying to carry out a constant pH MD simulation using AMBER 18
> with the help of the "Amber Advanced tutorial 18" for the first time.
> However, for my system I now need to titrate CYS, LYS and TYR residues and
> for which I need to know the titrable residue name of each which is not
> mentioned in the tutorial.
> I'd really appreciate it if anyone could help me out with this.
>
>
> *Regards,*
>
> *Divya Rai*
>
> *Research Scholar*
>
> *Department of ChemistryIndian Institute of Technology, Kharagpur*
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--
Jason M. Swails
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Received on Fri Oct 29 2021 - 08:30:02 PDT
