| Filename |
Size |
| output_saturation
| 748.8G |
| output_saturation_0406.tar.gz | 401.2G |
| output_saturation_1_2_bk
| 306.8G |
| output_saturation_small
| 28.9G |
| analysis_output
| 181.8M |
| inputs
| 50.5M |
| slurm-3258336.out | 22.1M |
| flex_ddG_mpi_inputs.tar.gz | 11.5M |
| slurm-2874036.out | 1.9M |
| slurm-2874037.out | 1.7M |
| slurm-2874038.out | 1.7M |
| slurm-2874034.out | 1.6M |
| slurm-2874042.out | 1.6M |
| slurm-2874040.out | 1.6M |
| slurm-2874039.out | 1.6M |
| slurm-2874041.out | 1.5M |
| slurm-2874043.out | 1.5M |
| slurm-2874045.out | 1.4M |
| slurm-2874044.out | 1.3M |
| slurm-266.out | 575.6K |
| 1DAT_INPUT_EXAMPLE
| 498.8K |
| fig-overview.png | 434.7K |
| PEP_conformers.pdb | 256.1K |
| .ipynb_checkpoints
| 41.3K |
| analysis.ipynb | 41.3K |
| analyze_flex_ddG_CL.py | 13.3K |
| analyze_flex_ddG.py | 9.9K |
| split_protocol
| 9.7K |
| README.rst | 8.2K |
| extract_structures.py | 7.6K |
| run_example_2_saturation.py | 5.7K |
| test.ipynb | 5.2K |
| ddG-backrub.xml | 4.9K |
| ddG-no_backrub_control.xml | 4.4K |
| run_example_1.py | 4.2K |
| slurm-2819142.out | 3.0K |
| slurm-3228139.out | 3.0K |
| slurm-3241976.out | 3.0K |
| slurm-3270920.out | 3.0K |
| slurm-3271204.out | 3.0K |