Re: [AMBER] What is the correction in amber99SB-*-ILDN?

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Fri, 11 Oct 2019 11:29:08 -0400

I think it's safest to check with the authors of that model to make sure of
what they actually used.

On Fri, Oct 11, 2019 at 11:24 AM Dawid das <addiw7.googlemail.com> wrote:

> Dear Amber Users,
>
> I want to use amber99SB-*-ILDN force field. Is the only difference compared
> to amber99SB-ILDN in
>
> N -CT-C -N 1 0.1788 105.400 2.000
>
> dihedral term?
>
> So should I delete both of these lines:
> N -CT-C -N 1 1.700 180.000 -1.
> N -CT-C -N 1 2.000 180.000 2.
>
> and substitute them with
>
> N -CT-C -N 1 0.1788 105.400 2.000
>
> ?
> Best wishes,
> Dawid Grabarek
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Received on Fri Oct 11 2019 - 08:30:03 PDT
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