Re: [AMBER] Question about atomic charges

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Fri, 4 Dec 2020 14:45:32 -0500

have you looked at GLYCAM?

On Fri, Dec 4, 2020 at 2:16 PM Pinky Mazumder <pmazumder67.gmail.com> wrote:

> Dear AMBER users,
>
> I have built a model of carbohydrates using carbohydrate builder. The
> (.pdb) file I have got from there is without charge. So, my question is how
> to assign atomic charges on those atoms?
>
> Can AMBER do this? Or do I need to use any additional software?
>
>
> Any help could be appreciated.
>
>
> Thank you.
>
> Regards,
> --
> Pinky, Sharmi
> AL,US
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Received on Fri Dec 04 2020 - 12:00:02 PST
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