There are some questions I hope can be answered. #67
Description
First of all, thank you to the team for developing this tool. Exploring more diverse protein conformations is my aspiration. I have a few questions that I hope can be addressed.
The first and most important one is whether you could release several tutorial sessions, similar to the classic teaching websites for GROMACS, using different cases as examples for instruction.
Secondly, can this tool also be applied to ions, small molecule drugs, water, lipids, and membrane-like molecules within the system?
Lastly, for systems with hundreds of thousands or even millions of atoms, can it achieve acceleration compared to classical molecular dynamics (MD)? Additionally, can it be used to investigate enzyme-substrate reactions, such as those involving bond breaking and formation?