and.tos

I attached a file that contains: bin_list n_states bias_mat states_list [dhamed.txt](https://github.com/bio-phys/PyDHAMed/files/1785533/dhamed.txt)

Hi Lukas, did the file work for you? Do you prefer another format?

Here it is. I had to label it txt to upload it but the format is npz. Thanks a lot!! [dhamed.npz.txt](https://github.com/bio-phys/PyDHAMed/files/1794321/dhamed.npz.txt)

Thank you so much for fixing this! I am running it right now and will let you know then.

I'm still getting the same error. I downloaded the Master Branch yesterday. Did I get the wrong version?

I'm not sure what it is I am doing wrong but I still get the error. I cloned the master branch and ran `pip install . --user` as you suggested,...

Is there a possibility to check whether the correct version is installed and called?

I checked thoroughly that I have the correct version. Here's the error I get (the "bin exclusion" seems new to me, so I assume this is from the changes in...

Thank you for your comment. I don't think I was clear in my first comment. There are neither implicit, nor explicit hydrogens added to the molecule. Furthermore it is not...

Thank you!