Open pgrinaway opened 7 years ago
We can simplify the relative free energy calculation driver app if we have the alchemical factory "bake" the switching functions into the system so that we only need to drive lambda in the integrator.
lambda
The system now supports this, but leaving open because we are still using the functions in the integrator.
We can simplify the relative free energy calculation driver app if we have the alchemical factory "bake" the switching functions into the system so that we only need to drive
lambda
in the integrator.