[gmx-users]_Energy_difference_-_Gromacs, _Autodock?=

[Mark Abraham]

> Yes, that was my mistake - PE energy of the whole system is about 65
> thousands kcal/mol. But Protein-Ligand Coul SR energy is in the range of
> 50-100 kcal/mol, so it seems to me to be strange that it's much higher
> than Autodock's predicted value of binding energy.

Is Autodock predicting a binding *free* energy?

Mark