Zhiyi Wu

@chryswoods I think this might be the best way forward.

@chryswoods This is my current approach where I do `conda install gsl=2.7.0` to get it to work.

@jmichel80 Thanks for the answering. So the ligands in BioSimSpace/test/input/ligands/ (https://github.com/michellab/BioSimSpace/tree/devel/test/input/ligands) and the protein in BioSimSpace/test/input/molecules/ (https://github.com/michellab/BioSimSpace/tree/devel/test/input/molecules) cannot be combined to form a protein-ligand system. I will create new test...

@lohedges Thanks. I wonder if you know which ligand from BioSimSpace/test/input/ligands/ can be combined with the protein in BioSimSpace/test/input/molecules/? I have tried ligand CAT-13a and ligand01, which doesn't seems to...

@lohedges Thanks. I wonder with regard to > If things changed, then we'd just need to make sure that we could still read input given the old layout. It this...

@lohedges Thanks for the explanation.

@chryswoods Thanks. I plan to have a full setup ready before I begin to test the analysis part.

I wonder if BSS currently supports openFF? I tried to use BSS to Parameterise OpenFF and it failed so I was wondering if it has been implemented.

@lohedges Hi, so I set up the env with ``` conda create -n biosimspace -c conda-forge -c michellab biosimspace conda install -c conda-forge ambertools ``` Then I feed in a...

Thanks. I will try to use antechamber to generate the input file.