[rDock-list-def] Fixing the terminal OH and NH3+ of some residues

[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 distance specified in the RECEPTOR_FLEX parameter?

If not, is there a way to fix some residues while others are flexible?


Thank you for your help,

Best regards,
Noelly.