[gmx-users] free energy calculation
badisa at CLEMSON.EDU
Wed Feb 2 19:25:58 CET 2005
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?
Dept of Chemical Engineering
Clemson, SC 29634-0909
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