GROMACS version:2024-1
GROMACS modification: Yes/No No
Here post your question
Attempting to install via VisualStudio leads to several Cmake errors.
A fatal one:Cannot open include file: ‘unistd.h’: No such file or directory.
This is correct, its not anywhere assocoated with gromacs.
Should it be?
Has the install been done in recent time? YouTube videos are out of date.
Suggestions(other than WSL)?
I followed this video “https://www.youtube.com/watch?v=xZkVxWD58N8”
There is no problem during the compiling stage but my simulation stucked at the enenrgy minimization stage and got no result
By the way, Gromacs works perfectly on WSL
It sounds similar to Calculations do not start after launching gmx mdrun (#4956) · Issues · GROMACS / GROMACS · GitLab. We are looking into it.
I watched the video as well but:
- the first step to extract the tarball failed
- looking ahead, this video doesn’t have the setup for version 2024.1 that involves python
Any advice appreciated.
Tim