Autodock Vina Extended problem
why dont you add the possibility of adding kollman and gastegier charges like in autodock tools.
so we can add H, charges, minimize the protien in the same application
Dear @Sherif-0 ,
Vina doesn't require and doesn't use assigned partial charges for atoms, quoting the Vina manual: "assigning atom charges is not needed", "AutoDock Vina ignores the user-supplied partial charges" (see http://vina.scripps.edu/manual.html). So there is no need in adding Kollman or Gasteiger charges.
Thanks this is very good to know