This PR is intended to initiate the combination of saltswap with protons.
A new function has been added that can fractionally interpolate between the non-bonded parameters of ions and water. It is not expected that this function is in its final form, but hopefully this will be an example that will be useful for further developments. This function does not yet have a unit test.
@bas-rustenburg, please feel free to contribute to this PR, or merely use it for inspiration.
This PR is intended to initiate the combination of saltswap with protons.
A new function has been added that can fractionally interpolate between the non-bonded parameters of ions and water. It is not expected that this function is in its final form, but hopefully this will be an example that will be useful for further developments. This function does not yet have a unit test.
@bas-rustenburg, please feel free to contribute to this PR, or merely use it for inspiration.