GROMACS modification: NO
Dear all gmx users and developers :
Recently I notice some bug issues of the gmx version 2020.2 in this forum, such as number order in the *.gro file, xpm2ps etc.Do the bugs of Gromacs of 2020.2 influence the MD simulations results? Do I need to rerun my Molecular dynamics simulation using the newest or the older version(if need, which should I choose) ? Or the trajectories are correct though there are some bugs?
And I use the gmx rdf ,gmx trjconv, gmx msd,gmx convert-tpr ,etc commands to analysis.Do they give the correct results?
Thank you in advance! Best wishes!
We take bugs that could potentially affect your results for mdrun very seriously and if we find andf fix any report clearly in the release notes under which circumstances your results might be invalid. In the release notes there is a section called " Fixes where mdrun could behave incorrectly". I looked through the release notes of 2020.3 - 2020.6 and there are a few issues fixed with reporting of energies for thermo/barostats and a two bugs with special cases of free-energy methods, but nothing that affects sampling of standard simulations.
@hess Thank you for the precious reply! I see, and I am not worried about this any more(^-^).
Best Wishes! Thank you again!