[gmx-users] Alchemical free energy

Alex alexanderwien2k at gmail.com
Tue Apr 4 18:58:33 CEST 2017

Dear gromacs user,

In relative binding free energy calculation via alchemical free energy, I
noticed that either the word "Decouple" or "Annihilate" is used. What is
the difference between them? When should we use which?



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