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Using Amoeba implicit solvent: can we specify salt concentration by Debye-Huckel screening parameter(`implicitSolventKappa`)?

5

Hello, I was trying to use the amoeba2018 force field and amoeba2018_gk implicit solvent model but wondering if I could specify salt concentration in the same way as I did...

Try to dock AMP (adenosine monophosphate) to a ssDNA

3

Hello! **Describe the bug** I was trying to dock a small molecule (adenosine monophosphate, ie, [AMP](https://pubchem.ncbi.nlm.nih.gov/compound/Adenosine-monophosphate)) to a ssDNA molecule using LightDock/0.9.0 but I could not get any "gso_{}.out" or...

Petition to support parameterization using `CGenFF` for small molecules

1

Hello, First of all, thank you tremendously for developing the openmmforcefields tool, especially for allowing the on-the-fly parameterization using GAFF and others! It really saved a lot of pain of...