VincenzoChen

protocol work turned nan after RandomLigandRotationMove

3

I have tested the t4-toluene example and it worked well. But when I use my own [system](https://github.com/MobleyLab/blues/files/8638294/run_NCMC.zip) , it hasn't work quite well. In this system, the ligand is greatly...

Can BLUES perform multiple ligands rotate and move

2

Hello, I have a system contains three ligands and I wanto to rotate and move all of them. When I use BLUES to perform such action, it raised an error...