Installation of AMBER ff19SB on GROMACS 2024.1

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GROMACS version: 2024.1
GROMACS modification: No

Hello,

I want to install the AMBER ff19SB force field on GROMACS 2024.1. I am running Ubuntu 22.04. Is there a straightforward way to install it?

Thank you in advance.

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You don’t need to install a forcefield to use it in gromacs, if you have the folder containing the forcefield parameters with the gromacs format in the same directory as your simulation, the forcefield will show up as an option in pdb2gmx. If you can’t run pdb2gmx, you could also use #include in your topol.top to specify the forcefield.

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Hi Karis,

Thank you for your response. Where can I download the AMBER ff19SB parameter files in GROMACS format? Sorin Lab’s ffAMBER doesn’t include ff19SB.

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use charmm gui for amber19SB

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