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7 Free Energies

(Note: These tutorials are meant to provide illustrative examples of how to use the AMBER software suite to carry out simulations that can be run on a simple workstation in a reasonable period of time. They do not necessarily provide the optimal choice of parameters or methods for the particular application area.)
Copyright McGee, Miller, and Swails 2009

MMPBSA.py

By Dwight McGee, Bill Miller III, and Jason Swails

NOTE: MMPBSA.py is now released with AmberTools 1.5. Please install AmberTools 1.5 to use MMPBSA.py.

(Note: These tutorials are meant to provide illustrative examples of how to use the AMBER software suite to carry out simulations that can be run on a simple workstation in a reasonable period of time. They do not necessarily provide the optimal choice of parameters or methods for the particular application area.)
Copyright McGee, Miller, and Swails 2009