Re: [AMBER] polarizable FF in amber18 or 20

From: Ray Luo <rluo.uci.edu>
Date: Sat, 1 May 2021 12:14:51 -0700

Vaibhav,

I can ask this. There is a new polarizable force field, polarizable
Gaussian Multipole, actively under development. The PME code
supporting this force field has been released in sander in the latest
release.

All the best,
Ray
--
Ray Luo, Ph.D.
Professor of Structural Biology/Biochemistry/Biophysics,
Chemical and Materials Physics, Chemical and Biomolecular Engineering,
Biomedical Engineering, and Materials Science and Engineering
Department of Molecular Biology and Biochemistry
University of California, Irvine, CA 92697-3900
On Thu, Apr 29, 2021 at 9:05 PM Vaibhav Dixit <vaibhavadixit.gmail.com> wrote:
>
> Dear David,
> I'm curious to know if there are any updates related to the possibility of
> polarizable force fields being in Amber in the near future.
> Other options that you suggested earlier seem too complicated and would
> require substantial expertise/time/effort which I'm unable to devote at
> this moment.
> Thus just checking if the Amber developers are planning anything in that
> direction.
> Thank you and best regards.
>
> --
>
> Regards,
>
> Dr. Vaibhav A. Dixit,
>
> Visiting Scientist at the Manchester Institute of Biotechnology (MIB), The
> University of Manchester, 131 Princess Street, Manchester M1 7DN, UK.
> AND
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Received on Sat May 01 2021 - 12:30:02 PDT
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