The aim of this task is enable users to define the anchor atoms for the Boresch-like restraint in the ABFE Protocol. In the context of net charge support (parent), this will allow us to test on host-guest systems more easily.
The aim of this task is enable users to define the anchor atoms for the Boresch-like restraint in the ABFE Protocol.
In the context of net charge support (parent), this will allow us to test on host-guest systems more easily.