Thank you very much.
On Sat, 5 Aug 2023, 4:47 pm Ramachandran, Balajee, <rbalajee.bu.edu> wrote:
> HI
>
> When I was working with Zn, I followed this tutorial. Hope this tutorial
> helps you
>
> http://ambermd.org/tutorials/advanced/tutorial20/ZAFF.php
>
> Balajee
> ------------------------------
> *From:* Sayan Poddar via AMBER <amber.ambermd.org>
> *Sent:* Saturday, August 5, 2023 2:29 AM
> *To:* AMBER Mailing List <amber.ambermd.org>
> *Subject:* [AMBER] Question about Zinc ions
>
> Dear AMBER developers and Users,
>
> I have two Zinc ions bound to my protein structure in the cysteine-rich
> domain with one histidine residue also involved in binding. I was preparing
> the topology and coordinate files for the protein using tleap. Do I need to
> do any special modification in the PDB or use any other forcefields for
> zinc? I have used ff14SB and gaff2 forcefields for protein and ligands,
> respectively and tip3p water model.
>
> Thank you
> --
> *with regards*
> *Sayan Poddar*
>
> *PhD Research Scholar*
> *Department of Biosciences and Biomedical Engineering*
> *Indian Institute of Technology Indore*
> *India*
> _______________________________________________
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>
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Received on Sat Aug 05 2023 - 04:30:02 PDT
