Closed harlor closed 5 years ago
As suggested in https://github.com/alchemistry/alchemlyb/pull/62 I want to add 3 new free energy data sets:
These data sets are useful to test the calculation of the reduced potential for gromacs data sets in alchemlyb. See https://github.com/alchemistry/alchemlyb/issues/59.
I approved a bit prematurely because the entries in gmx.rst are still missing. But just ping me when you have added it and I'll merge.
gmx.rst
Ok - I added the information to the gmx.rst
Thank you!
As suggested in https://github.com/alchemistry/alchemlyb/pull/62 I want to add 3 new free energy data sets:
These data sets are useful to test the calculation of the reduced potential for gromacs data sets in alchemlyb. See https://github.com/alchemistry/alchemlyb/issues/59.