Re: [AMBER] scaling of electrostatic interactions

From: Lorenzo Gontrani <lorenzo.gontrani.uniroma1.it>
Date: Thu, 11 Jan 2018 11:19:49 +0100

What if you scale the charges of the atoms of interest? If you apply a
dielectric constant, you scale everything.

Be aware that if you have charged systems, Ewald summation is not correct


On 01/11/2018 11:18 AM, Antonija Tomić wrote:
> Dear Amber Community,
>
> I was wondering is there a way to scale (dim) electrostatic interactions
> just between certain pair of atoms without going into the code?
>
> Kind regards,
> Antonija
>
>
>
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Received on Thu Jan 11 2018 - 02:30:02 PST
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