Re: [AMBER] Force field for aMD

From: Carlos Simmerling <>
Date: Tue, 10 Sep 2019 13:01:50 -0400

I don't think aMD needs a specific force field, you should be able to use
I see that this tutorial has quite a few typos. I suspect the author meant
ff99SB-ILDN, not ff99SB-I (I have never heard of the latter).
If you are trying the tutorial, the files are provided. If you want to
build your own system, you may want to use a more modern force field like

On Tue, Sep 10, 2019 at 12:56 PM cpimenta <> wrote:

> Hello,
> In Amber tutorial 22 (aMD) the water model used is TIP4P-Ew and the
> force field is ff99SB-I. This forcefield is no longer part of the
> distribution. What force field with be more adequate to perform aMD?
> Should I use a different water model as well?
> Best regards,
> C├ęsar
> _______________________________________________
> AMBER mailing list
AMBER mailing list
Received on Tue Sep 10 2019 - 10:30:01 PDT
Custom Search