langjingxiang

I have the same problem, I'm sure the GPU memory is enough

fastrelax = FastRelax() mmap = pyrosetta.rosetta.core.kinematics.MoveMap() mutation_position = 180 mmap.set_jump(True) for i in range(10): mmap.set_bb_true_range(mutation_position, mutation_position + 10) mmap.set_chi_true_range(mutation_position, mutation_position + 10) fastrelax.set_scorefxn(scorefxn) fastrelax.set_movemap(mmap) fastrelax.max_iter(3) fastrelax.apply(pose) 这样子写是不是就可以了