- Add simulation box:
Define a box in which your simulation should take place.
Duplicate the input molecule
- Random generate:
Select maximum translation [A], maximum rotation [rad] and amount of your duplicates here. Click generate to add them to the list below.
- Load from file
You might want to load the information described above from a file. File syntax is: "%f %f %f %f %f %f %f".1-3: translation, 4-6: rot. axis, 7: rot. angle
- Metropolis Monte Carlo:
"Normal" thermodynamic simulation
- Generalized Multiple-Try Metropolis
- Multi-Evulotionary Algorithm
- Accept all criterion:
Every step will be accepted
Go to next section Preprocessor output, return to previous page Output or return return to Details mainpage.