GMC Expert settings

Structure

• Add simulation box:
  Define a box in which your simulation should take place.

Cloner

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

Algorithm

• Metropolis Monte Carlo:
  "Normal" thermodynamic simulation
• Generalized Multiple-Try Metropolis
• Multi-Evulotionary Algorithm
• Accept all criterion:
  Every step will be accepted

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