GROMACS version:?
GROMACS modification: No
Selecting to download an older version (to check tar error in my prior post) I find that all downloads are redirected to the page with only the 2024.1 version.
Please advise.
which version you are looking for? last time i was able to download 5.1
Take a look here.
You may find it in Maintained releases: https://manual.gromacs.org
Thanks all for your help. I was getting a redirect to 2014.1 only but now I am not. Perhaps an issue at my end of the keyboard!
However, the reason I wanted too do this was all attempts or extract 2024.1 tarball ( on win11) led to an error (described in another note) related to an improper symbol from the api/external/boost portion.
I will try to extract 2024.0 later today.
The follow-up issue will be how to specify the Python executable location.
Is there a detailed process for. 2024.0 or 2024.1 even for *inux that I can maybe adapt to windows?
Each of releases 2024.1, 2024, 2023.4 lead to an error when using tar:
tar -xvzf “C:\Users\timho\Downloads\gromacs-2023.4.tar.gz” -C C:/
results in:
tar: Error exit delayed from previous errors. The output details the error location, but all relate to the unpacking being unable to create a file because of non-windows symbols.
Can anyone using windows check this?
@timhockswender: Please don’t post four copies (two in this thread, one in another, and one in GitLab bugtracker) of the same question.
Sorry,new to Gromacs world. Won’t happen again.
Tim
Why Windows? @timhockswender
I saw a paper from a professor at Duke who wrote about using Gromacs in Physical Chemistry class. Has a repository for it. He mentioned that it would be nice if the scripts etc. could be modified for Windows. So I tried. His paper was rather old (2017?) and I am now giving up the quest as I have no real need, it’s seems much easier on WSL2 and my learning curve is too steep. I have little use and knowledge for C++ or Unix so I’ll do something else.
I’m a retired organic/polymer chemist and have other interests and a repository focused on basic work in that area.
Short question, long answer!
Tim
No worries!
For Linux, we have an extensive doc. It has some hints for Windows, but, admittedly, it is a far cry from a usable step-by-step guide :(
@timhockswender there are some group that developed gromacs for windows, you can install it directly. (dont remember the version). I have the exe file for installation i can send that to you