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                                            Taoooo

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

Thank you for the clarification! It makes sense now - All of the Amber implicit solvent models in OpenMM are Generalized Born models, instead of Generalized Kirkwood. In the paper...

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

> You can try that, but I'm doubtful it will work. GB models are designed to exactly cancel a fraction of the Coulomb interaction, where the fraction depends on distance...

Try to dock AMP (adenosine monophosphate) to a ssDNA

Here is more output info from my runs: a zip file that contains the .out files from the 4 steps of running lightdock (setup, run, rank, and find structures of...

Try to dock AMP (adenosine monophosphate) to a ssDNA

@JorgeRoel Thank you tremendously!🤩 I will give it try soon!