GROMACS version:2021.1
GROMACS modification: No
Dear all,
I am Subhasree, will be working on protein cold denaturation and want to do MD simulation. So I want to use gromacs 2021.1 version. But some of my colleagues are suggesting 2020 version will be better because I may face problem in gromacs 2021.1 during the calculation of torsion angles. I don’t have basic knowledge about this as I am very new to this field. I want proper guidance and suggestions regarding this. If the 2021 other release or 2022 is better please aware me about that also.
Thanks and regards
Hi,
GROMACS versions are described by year.number. The year represents the major release, and it is the moment where new features are added. the number represents minor release of the major release, that is bug fixing, but not new feature (higher number better, less bugs).
Now the last released version is 2022.1. To choose a version The general role is to use the most (stable) recent version as possible, except if some features you are interested have been temporally depricated in the recent version.
Personally I will proceed in the following way. I am interested in new features implemented in 2022, then I will use the 2022.1 (higher number available now). If I am not interested in new features, I choose for my project the most recent version with less bugs (2021.5 - minor release 5 is the most recent for 2021).
To have an overview of the most recent versions have a look at the major/minor released announcement (Announcements - GROMACS forums)
\Alessandra
I really appreciate your efforts Alevilla. Thank you for sharing the information. It will be helpful for me.
Thanks and regards,
Subhasree