The tutorial of gmxapi with cpp version

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Thank you very much for your patience. Your reply is very helpful to me.
I am very interested to consult you on two aspects.

  1. Why C++?
    Although most deep learning frameworks use Python to express the structure of neural networks, use C++ to create operator.
    With the application of deep learning in molecular dynamics simulations, I wanted to mix Gromacs with neural networks. In other words, Gromacs are interspersed with neural networks.
    So I want to treat em, nvt, npt, and md as operators, but not a neural network.
    Based on the above two points, C++ API is more suitable for me to create custom operators.

  2. NBLib
    I investigated NBLib before. However, I found that NBLib can only simulate md(molecular dynamic) from this website. It cannot simulate nvt and npt. So if I chose to use NBLib, is there a way to add nvt,npt, and em?