[gmx-users] TI results

[parto haghighi]

Dear GMX users,
I want to prepare an .itp for a new molecule ( like fifth gromacs tutorial).
1 ) I applied PRODRG to create its drg.itp.
2 ) Now I want to correct its partial atomic charge.

As I have red in a paper (http://pubs.acs.org/doi/abs/10.1021/ci100335w) I
have to do thermodynamic integration for example solvation free energy of
this molecule in water to correct its charges.
The molecule is lidocain
My question is how can I accept my free energy calculation results while I
dont have any experimental date to comparison?

Thanks a lot in advance.
P.Haghighi
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