Reply To: Ab Initio Modelling of Protein with Small-Molecule Cofactor

[Anonymous]

Thanks for that quick answer. I will try that today and post the result.

Do you have any idea who might know about that “residue_pair_jump_cst” file? I mean, someone should have implemented that.

— Edit —

I added the “-extra_res_fa” flag but that does not help. Adding the params file to the residue_types.txt results in the same error message:

ERROR: unrecognized residue name ‘FAD’
ERROR:: Exit from: src/core/chemical/ResidueTypeSet.hh line: 148

If you look up line 148 in ResiudeTypeSet.hh you find that the program checks whether FAD is part of a “name_map” array – which seems to be not the case; hence the error message.
I don’t understand the code sufficiently enough to draw any helpful conclusions. The big question is how to add FAD to that array if the latter is not build from the “residue_types.txt” list?