[rDock-list-def] (no subject)

[Noelly M. <mad...@ho...>]

Dear all, 


According to the manual, the parameter RECEPTOR_FLEX defines terminal OH and NH3+ groups within a given 
 distance of docking volume as flexible.

During the docking step, I would like to treat the terminal OH and NH3+ of some residues as flexible
(using the RECEPTOR_FLEX parameter), and some as fixed.
 
Is there a parameter that allow me to fix the terminal OH or NH3+ of specific residues even if
they are within the chosen distance in the RECEPTOR_FLEX parameter?


Thank you for your help,

Best regards,
Noelly.