Entering edit mode
11.7 years ago
Deb
•
0
Hi I have been trying to do docking in gold with side chain flexibility option ( infact I did the docking in gold (with default value) without any problem. But every time I tried with adding rotamer library to the configuration file, got this message:
Fatal error: find_all_connected_atoms_to_bond: rotatable bond 1869-1866 has more than 70 atoms attached. Please check input; only side-chain bonds are selectable, not main-chain or proline.
I tried to make asparagine flexible, didn't touch any proline residue. Don't have any idea which parameter should I change...
Anyone can help me out of this problem plz? It would be really great if anyone can.
BR Deb
