Hi,

Is there a reason that you have to do it on Windows?

I've tried installing on Windows and couldn't get it. That was five years ago. I've never tried again and honestly, its not worth it. If you ever run on a high-performance cluster, it will be running Linux anyway.

Ubuntu is freely available and doesn't take up a lot of space. You could just make a small partition for it to install in, make your windows partition smaller as well, and then create an NTFS/exFAT partition of shared data storage space for both operating systems to have access to.

If you do install on Ubuntu (or whatever Linux OS you choose), then you could simply do:

sudo apt-get install gromacs

Which would install whatever version is available via the package manager.

You could also follow this youtube video, which is very straight forward:

https://www.youtube.com/watch?v=vOJsmtFeSGk

Or see here for some discussion on a Windows install

https://www.researchgate.net/post/I_need_to_install_GROMACS_on_windows_10_64_bit_system_Can_anyone_help_me_with_a_step_by_step_tutorial

thank you very much

You can install a virtual machine for linux, then work with gromacs on it. However, it is rather slow, and helps only with very small tasks.

If you want to do MD, and absolutely need your windows, I recommend dual installation of LInux and Windows on your PC.

Rituraj Dubey