Reply To: ‘-norepack_disulf’ flag NOT work in Ligand-protein docking ?

[Anonymous]

Thanks for the hints, But it still does not work even I add the chain ID, the Flags I using are :

-extra_res_fa BSP.params
-nstruct 10
-out:file:renumber_pdb -no_optH
-randomize2
-uniform_trans 5
-minimize_ligand
-harmonic_torsions 10
-packing:resfile resfile.log
-run:constant_seed -nodelay
-start_from 23.60 35.43 21.41
-start_from 17.13 38.18 14.53
-start_from 23.18 31.04 26.60
-s insulin.pdb

in the resfile.log file :

6 A NATRO
7 A NATRO
11 A NATRO
28 B NATRO
20 A NATRO
40 B NATRO

because there are two disulfide bonds are inter-chain, I also tried two of them:

6 A NATRO
11 A NATRO

the results show that the disulfide bonds are still not totally freezed.

Best.