[gmx-users] AMBER force fields, ff12SB and ff14SB for GROMACS
mrshirts at gmail.com
Fri Dec 11 02:02:36 CET 2015
Great! It's important to have all data validated carefully. Have you
put together a set of tests, with coverage of all the atom types and
interaction types, showing that the molecules give the same energies
in both GROMACS and AMBER? Validating conversions is quite important
so that people can trust the results.
On Thu, Dec 10, 2015 at 4:01 PM, Man Hoang Viet <mhviet at ifpan.edu.pl> wrote:
> Dear GROMACS Admins,
> I have implemented AMBER force field ff12SB and ff14SB into GROMACS and
> want to share them with all gromacs users. I have tried to upload it via
> below link
> However, I can not do register to upload. Could you please tell me how I
> can share the amber force fields to gromacs users.
> Thank you very much.
> Yours sincerely,
> Viet Man,
> Postdoctoral Research Associate,
> Physics Department, NCSU
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