Envlope model

[dishant7227]

Hi, Could you explain, what is the purpose of envlope model, where it could be used and how can I work with it computationally because there is no documentation about the tutorial. Thank you in advance

[weria-pezeshkian]

Hi, that was for last year workshop in Copenhagen to backmap to CG model and create something like https://www.cell.com/structure/fulltext/S0969-2126(23)00040-0?

It is more of a TS2CG tutorial and I would ignore it. Instead you could visit this year tutorial for version 2 https://github.com/weria-pezeshkian/FreeDTS/wiki/Workshop-2024

[dishant7227]

Thank you very much for version two. It is much more helpful and easy to comprehend the parameters and tutorials.

[dishant7227]

Hi in the new version I think there is some problem inside the source code, because it would show the energy leakage error. So Kindly guide me towards correct path. Thank you in advance.

[weria-pezeshkian]

Hi, energy leak happens if you use OpenMP and use interaction energy between the inclusions of type 2. That type we are aware of it. If it is some other cases, and if that happens without OpenMP, please send us the the files to figure out what is the problem.