ADL: charges

maria timoshik m.timoshik at
Sun Mar 27 00:20:54 PDT 2016

I'll appreciate if physic-chemists suggest how to edit charges while preparing input file for Vina.
I should add Kolleman charges and compute Gasteiger's.
Also, please advise a textbook clearly describing the theory of various charged states for ligands (including abovementioned).

with regards, Maria 

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