Free energy of conformational change

From: Lixia Jin Day (
Date: Wed Mar 25 2009 - 15:21:19 CDT

In the FEP section of the user's guide, it says:" The system is efficient if
only a few coordinates, either of individual atoms or centers of mass of
groups of atoms, are needed."

Here I have two conformations of a protein (about 300aa), can I calculate
the free energy changes during the transition from one conformation to


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