=?koi8-r?Q?Re=3A_Re=3A_[gmx-users]_Energy_difference_-_Gromacs, _Autodock?=

Александр Журавлев beneor at mail.ru
Tue Jun 19 08:52:16 CEST 2007

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.   

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