| 2024-08-16 13:35:23.243 INFO: Using SMFF openff_unconstrained-1.0.0.offxml | |
| 2024-08-16 13:35:23.284 INFO: Using reduced periodic box vectors (Vec3(x=3.5, y=0.0, z=0.0), Vec3(x=0.0, y=3.5, z=0.0), Vec3(x=0.0, y=0.0, z=3.5)) nm | |
| 2024-08-16 13:35:23.284 INFO: Initialized topology with 138 atoms | |
| 2024-08-16 13:35:23.297 WARNING: Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. | |
| 2024-08-16 13:52:05.528 INFO: Using SMFF openff_unconstrained-1.0.0.offxml | |
| 2024-08-16 13:52:05.546 INFO: Using reduced periodic box vectors (Vec3(x=3.5, y=0.0, z=0.0), Vec3(x=0.0, y=3.5, z=0.0), Vec3(x=0.0, y=0.0, z=3.5)) nm | |
| 2024-08-16 13:52:05.547 INFO: Initialized topology with 138 atoms | |
| 2024-08-16 13:52:05.553 WARNING: Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. | |
| 2024-08-16 13:55:19.042 INFO: Using SMFF openff_unconstrained-1.0.0.offxml | |
| 2024-08-16 13:55:19.060 INFO: Using reduced periodic box vectors (Vec3(x=3.5, y=0.0, z=0.0), Vec3(x=0.0, y=3.5, z=0.0), Vec3(x=0.0, y=0.0, z=3.5)) nm | |
| 2024-08-16 13:55:19.060 INFO: Initialized topology with 138 atoms | |
| 2024-08-16 13:55:19.067 WARNING: Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. | |
| 2024-08-16 13:55:53.890 INFO: Using SMFF openff_unconstrained-1.0.0.offxml | |
| 2024-08-16 13:55:53.909 INFO: Using reduced periodic box vectors (Vec3(x=3.5, y=0.0, z=0.0), Vec3(x=0.0, y=3.5, z=0.0), Vec3(x=0.0, y=0.0, z=3.5)) nm | |
| 2024-08-16 13:55:53.910 INFO: Initialized topology with 138 atoms | |
| 2024-08-16 13:55:53.917 WARNING: Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. | |
| 2024-08-16 13:57:20.357 INFO: Using SMFF openff_unconstrained-1.0.0.offxml | |
| 2024-08-16 13:57:20.375 INFO: Using reduced periodic box vectors (Vec3(x=3.5, y=0.0, z=0.0), Vec3(x=0.0, y=3.5, z=0.0), Vec3(x=0.0, y=0.0, z=3.5)) nm | |
| 2024-08-16 13:57:20.376 INFO: Initialized topology with 138 atoms | |
| 2024-08-16 13:57:20.382 WARNING: Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. | |