Inculding a replusion force between selected atoms for sMD

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GROMACS version:2022.2
GROMACS modification: No
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Hello All,
I am trying to create a configuration file for a steered MD simulation of the membrane protein KvAP. I am following the methods laid out by the paper The Voltage-Dependent Deactivation of the KvAP Channel Involves the Breakage of Its S4 Helix (doi: https://doi.org/10.3389/fmolb.2020.00162), but I am having difficulty find the parameters to quote " [have] the alpha carbon atoms repelled by each other by a force of 23 kJ/mol/nm" . As of writing this, I have not found the correct setting. Any input would be appreciated,

-Kyle

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I am not aware of the option of a constant force functionality between atom pairs, apart from the pull code. You could use the pull code, but that gets inconvenient when the number of pairs is high.

But I would think that using constant repulsive forces between atom pairs is not the optimal setup.