[gmx-users] force field for organometalic compound

Bratin Kumar Das 177cy500.bratin at nitk.edu.in
Mon Jun 10 17:04:53 CEST 2019

    You can use acpype to build the amber forcefield parameters. Each force
field have corresponding servers which can make .tpr file for you. You can
easily run simulation with that file.

On Mon 10 Jun, 2019, 6:43 PM antonia vyrkou, <avyrkou at gmail.com> wrote:

> Dear all,
> I want to simulate an organometallic compound and how it affects an
> enzyme's function using Gromacs but I am having trouble finding suitable
> force field parameters. If would really appreciate  any suggestions for a
> Gromacs compatible , Amber compatible force field
> Thank you
> Antonia
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