I'm trying to generate ligand conformers for redesigning an enzyme. I had an input conformation, but when using it to generate conformers, it gave me this error:
Loading internal fraglib
81736 fragments loaded in 0.65 seconds
Title = untitled
Can't assign MMFF type to atom number 44 S
Warning: force field setup failed due to missing parameters for molecule untitled
Can you give me some hints on solving this problem?