Hi,
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, wrote:
> Dear all,
>
> I want to simulate an
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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