GROMACS version: 2022.4
GROMACS modification: Yes/No
For specific studies, I needed to simulate my protein using ethanol as a solvent. I have four GPUs in my workstation and am running using them. Everything till equilibriation ran normally with the speed being ~300 ns/day. However, when I run the production MD run, it is taking relatively a lot of time. The log file said that the speed for the production run is ~0.006 ns/day, which as you all can see if a very huge difference.
Any insight would be helpful and greatly appreciated!
Regards!