; > From: Jo?o Henriques
> > To:gmx-us...@gromacs.org, "Greener, Joe"
> > Subject: Re: [gmx-users] a99SB-disp forcefield
> > Message-ID:
> >zu-3jypzd3tsxy...@mail.gmail.com>
> > Content-Type: text/plain; charset="UTF-8"
> >
> &g
Paul as Paul Robustelli, the paper author?
02.07.2019 17:00, gromacs.org_gmx-users-requ...@maillist.sys.kth.se пишет:
Message: 3
Date: Tue, 2 Jul 2019 09:52:04 +0200
From: Jo?o Henriques
To:gmx-us...@gromacs.org, "Greener, Joe"
Subject: Re: [gmx-users] a99SB-disp forcefield
Ask Paul, they have a Gromacs version of it and he'll most likely be happy
to share it with you.
J
On Mon, Jul 1, 2019 at 8:19 PM Joe Greener wrote:
> Dear Gromacs users,
>
> I am looking to use the a99SB-disp forcefield from Robustelli et al.
> PNAS 2018
Dear Gromacs users,
I am looking to use the a99SB-disp forcefield from Robustelli et al.
PNAS 2018 (https://www.pnas.org/content/115/21/E4758) in Gromacs 2019.3.
The details of the forcefield are in the paper supplementary material. I
have carried out the following steps:
- Downloaded the
