V0.5.1 release

This release changes the frequency of saving frames from one frame every step to one frame every 1000 steps.

V0.5 release

This release changes the behaviour of save_traj, which now saves trajectory into file instead of store it in the memory which makes sure that there will no longer be OOM issue with save_traj=True.

Conda package

Release for conda packaging

v0.3

This release provides the code that was used to generate the results of the "Using Neural Network Potentials to efficiently calculate indirect free energy estimates" manuscript by Tkaczyk et al.

v0.2: Merge pull request #46 from wiederm/tests

Bugfix release

Alpha version

This release tags the alpha version of the endstate_correction package.
The package is able to perform endstate corrections using FEP and NEQ switching for molecules in vacuum,
solute and in complex with a protein.