Move BAT.py to Amber20 only

GHeinzelmann / BAT.py

The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy calculations on protein-ligand systems, compatible with the AMBER and OpenMM simulation packages.

MIT License

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Move BAT.py to Amber20 only #16

Closed GHeinzelmann closed 3 years ago

GHeinzelmann commented 3 years ago

Possible Issues with electrostatic decoupling when using Amber18, fixed in Amber20.

GHeinzelmann commented 3 years ago

Solved.