[gmx-users] free energy decomposition

friendli friendli2000 at gmail.com
Tue Feb 3 09:16:55 CET 2009


Dear all,

Does Gmx provide the functions to decompose the free energy calculated 
using TI into various components, such as electrostatic, VDW, covalent 
or contribution from each residue?
If it has, where can I find the procedures to do it?

thanks a lot

Qiang



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