[gmx-users] free energy calculation

[Bamidele Adisa]

hi all,
i'm running MD simulations on a polymer that folds into a helix when placed 
in water and
i need to estimate the free energy of folding.
could anyone give me a simple procedure for calculating the free energy of 
folding in GROMACS?
thanks

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Bamidele Adisa
Dept of Chemical Engineering
Clemson University
Clemson, SC 29634-0909
864-654-0586
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