Enzyme Design

I'm preparing to start an enzyme redesign project using Rosetta, but the paper I'm supposed to be working off used the older enzdes application, which doesn't seem to be compatible with newer scorefunctions and sampling methods. CoupledMoves seems preferable, and I was hoping to get some recommendations for putting together a ligand docking and design protocol. I have basic familiarity with Rosetta, but since I'm the only person in my lab using it right now, I'd really appreciate any advice to help speed up the process and reduce time spent on trial and error.

I am trying to use IntearctiveRosetta on windows 10 environment and have zero knowledge about coding.....could anyone help me to solve this error......which comes up when I do a position scan using IntearctiveRosetta.....

Traceback (most recent call last):File "scripts\daemon.py", line 2024, in daemonLoopdoPMutScan()File "scripts\daemon.py", line 503, in doPMutScanos.rename("scanprogress", "scanoutput")WindowsError: [Error 32] The process cannot access the file because it is being used by another process

I am trying to relax my protein with ligands FMN before do further design. I used movemap to exclude the rotamer on FMN. my flag and movemap file looks like below. I also attached my protein_FMN pdb. It takes an extremely long time and it seems like stuck somewhere (I attached the screen shot). Is it normal and anybody knows why? Thanks

flag file:

-in:file:s ./input/3TX9.A_FMN_Crystal.pdb

-in:file:movemap movemapfile

# Harmonic runs

-relax:constrain_relax_to_start_coords