Performance of SMD simulation

mpedraza
Thu, 09 Oct 2025 21:05:05 +0000
User discussions

GROMACS version: 2024.3-plumed_2.9.3
GROMACS modification: Yes/No

I want to know if there is a way to find out the performance (ns/day) I am getting for my system by the end of an SMD when it fails due to box size constraints. In theory it should be in the log file, but since it fails it is never printed. I know this is a very simple question but I can’t find a good workaround.

Thanks in advance

2 posts - 2 participants