| source ~/anaconda3/bin/activate SurfDock | |
| conda_lib=~/anaconda3/envs/SurfDock/lib | |
| cd ~/SurfDock/force_optimize | |
| export LD_LIBRARY_PATH=$conda_lib:$LD_LIBRARY_PATH | |
| export CUDA_VISIBLE_DEVICES="6" | |
| command=`python ./post_energy_minimize.py \ | |
| --path_csv csv_path \ | |
| --num_process 10 \ | |
| ` | |
| state=$command |