| Filename |
Size |
| DTZ3O_R_.xtbopt.log | 440.9K |
| DTZ3O_R_trans.xtbopt.log | 395.7K |
| DTZ2_R_.xtbopt.log | 395.7K |
| log_DTZ3O_R.txt | 123.9K |
| log_DTZ3O_R_trans.txt | 117.7K |
| log_DTZ2_R.txt | 113.7K |
| DTZ3O_R_.xtbopt2.mol2 | 8.5K |
| DTZ2_R_edited.xtbopt.mol2 | 8.5K |
| DTZ3O_R_.xtbopt.mol2 | 8.5K |
| Arg_dtz_neg_iso_0.1.mol2 | 8.4K |
| DTZ_R_.xtbopt.mol2 | 8.3K |
| DTZ2_R_.xtbrestart | 6.9K |
| DTZ3O_R_.xtbrestart | 6.9K |
| DTZ3O_R_trans.xtbrestart | 6.9K |
| .DS_Store | 6.0K |
| DTZ2_R_.xtbopt.xyz | 5.7K |
| DTZ3O_R_.xtbopt.xyz | 5.7K |
| DTZ3O_R_trans.xtbopt.xyz | 5.7K |
| DTZ3O_R_.wbo | 4.1K |
| DTZ3O_R_trans.wbo | 4.1K |
| DTZ2_R_.wbo | 4.1K |
| DTZ3O_R_.xyz | 4.0K |
| DTZ3O_R_trans.xyz | 4.0K |
| Arg_dtz_neg_iso_0.1.xyz | 4.0K |
| DTZ_R_.xtbopt.xyz | 4.0K |
| DTZ3O_R_bond.xyz | 2.6K |
| log_all_commands.txt | 1.3K |
| DTZ2_R_.charges | 1.2K |
| DTZ3O_R_.charges | 1.2K |
| DTZ3O_R_trans.charges | 1.2K |
| .ipynb_checkpoints
| 377 |
| sbatch_digs.txt | 377 |
| ._Arg_dtz_neg_iso_0.1.xyz | 210 |
| ._DTZ2_R_edited.xtbopt.mol2 | 210 |
| ._DTZ3O_R_.xtbopt2.mol2 | 210 |
| ._DTZ3O_R_bond.xyz | 210 |
| ._DTZ_R_.xtbopt.xyz | 210 |
| ._.DS_Store | 120 |
| .DTZ2_R_.xtboptok | 0 |
| .DTZ3O_R_.xtboptok | 0 |