Random Input
This permits you to create humic substance systems which molecules are chosen randomly from our dataset.
| Instructions |
|---|
| This is the random input mask: |
- Number of building blocks: the total number of building blocks the generated system should consist of (10 - 2000).
- Number of building blocks per molecule: the number of building blocks that one molecule of the system should consist of (2 - 20).
- Number of water molecules: the total amount of water molecules that should be added to the system (0 - 9000).
- Counter ions: Type of cations that should be added to the system in order to make it overall neutral.
- Random seed: Random seed use to build and place the molecules (1000 - 999999).
- email (optional): Write your email to receive a link with results upon job completion
|
| Notes: |
- The Coarse-Grained tool was tested using GROMACS version 2019. If you encounter any issues regarding the stability of SOM models,
consider using this version.
- When coarse-graining systems, the solvation of models does not necessarily match the atomistic models.
|