Maybe a change in the default Coulomb constant could be good.

[esguerra]

Hej,

Food for thought.

At the moment and since the beginning we've been using a default Coulomb constant which deviates from the experimental value of 332.06371 kcal/mol Å e^-2

It might be good to think about changing the default value. Some interesting reading as to why it might be a good change in the link below.

http://dx.doi.org/10.1007/s10822-016-9977-1

[acmnpv]

Hej, thanks for the linked article. I will think about it, could you add it to the list for things that need to be considered for a new release?

[esguerra]

sure. markdown list updated now.