3. Global Parameter

All the GP parameter available are described in one of these pages. You can type HERE to see in which page this parameter is explained.

• 3.1. How to create GP?
• 3.2. Usual Parameters
  • 3.2.1. To deal with the MD trajectory
  • 3.2.2. Functionement parameters
• 3.3. Directory Management
  • GlobalParameter.general_path
  • GlobalParameter.dir_mol_times
  • GlobalParameter.dir_torun_QM
  • GlobalParameter.dir_submission_file
• 3.4. QM Management
  • 3.4.1. Scientific parameter
  • 3.4.2. Numerical parameter
• 3.5. None user defined
  • 3.5.1. Regarding the MD
  • 3.5.2. MT ensemble
  • 3.5.3. First and third parralellization
• 3.6. All the GP parameters