[gmx-users] Free energy

mohsen ramezanpour ramezanpour.mohsen at gmail.com
Wed Dec 29 20:36:59 CET 2010


Dear All
I estimated protein-ligand free energy about -300 kj

Is it logical?I think it is wrong.what do you think?
what is the range of correct value for a typical protein-ligand?
protein=660 residue
ligand=25 atom
water=4670
Na=118
Cl=120

thanks in advance
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