[gmx-users] Question about binding free energy calculation

Mark Abraham Mark.Abraham at anu.edu.au
Tue May 27 04:41:56 CEST 2008

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Ming wrote:
> Dear all,
> I'm new to Gromacs but not new to MD.Could anyone kindly tell me how to calculate
> binding free energy with Gromacs? For example, MM/PBSA or MM/GBSA.
> Could anyone kindly send me a script? Any help will be highly appreciated!

GROMACS 3.x doesn't have any implicit solvent routines.

Mark

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